adding gasteiger charges to peptide
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN1:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN1:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN1:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN1:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN1:OD1
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN1:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN1:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN1:ND2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN1:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN1:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN1:OD1
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN1:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN1:OD1
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN1:ND2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN1:N
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN1:ND2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN1:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN1:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN1:ND2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:VAL2:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:VAL2:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:VAL2:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:VAL2:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:VAL2:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:VAL2:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:VAL2:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:VAL2:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:VAL2:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:VAL2:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:VAL2:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:VAL2:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:VAL2:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:VAL2:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS3:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS3:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS3:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS3:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS3:NE2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS3:N
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS3:ND1
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS3:NE2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS3:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS3:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS3:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS3:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS3:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS3:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS3:ND1
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS3:NE2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS3:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS3:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS3:NE2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS3:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS3:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS3:NE2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS3:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS3:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS3:ND1
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:THR4:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:THR4:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:THR4:OG1
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:THR4:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:THR4:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:THR4:OG1
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:THR4:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:THR4:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:THR4:OG1
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:THR4:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:THR4:OG1
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:THR4:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:THR4:OG1
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:THR4:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:THR4:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:THR4:OG1
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:THR4:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:THR4:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:THR4:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:THR4:OG1
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:THR4:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:THR4:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:THR4:OG1
Sorry, there are no Gasteiger parameters available for atom receptor:A:PHE5:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:PHE5:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:PHE5:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:PHE5:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:PHE5:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:PHE5:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:PHE5:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:PHE5:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:PHE5:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:PHE5:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:PHE5:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:PHE5:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:PHE5:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:PHE5:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:PHE5:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:PHE5:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:PHE5:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ARG6:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ARG6:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:ARG6:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ARG6:NE
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ARG6:NH2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ARG6:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ARG6:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ARG6:NE
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ARG6:NH1
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ARG6:NH2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ARG6:N
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ARG6:NH1
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ARG6:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ARG6:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ARG6:NE
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ARG6:NH1
Sorry, there are no Gasteiger parameters available for atom receptor:A:ARG6:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ARG6:NE
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ARG6:NH2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ARG6:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ARG6:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ARG6:NE
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ARG6:NH1
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ARG6:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ARG6:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ARG6:NE
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ARG6:NH1
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ARG6:NH2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ARG6:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ARG6:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ARG6:NE
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ARG6:NH2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:GLY7:N
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:GLY7:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:GLY7:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:GLY7:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:GLY7:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:GLY7:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:GLY7:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:GLY7:N
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:GLY7:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:GLY7:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:GLY7:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:GLY7:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:GLY7:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:GLY7:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:GLY7:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:GLY7:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASP8:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASP8:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASP8:OD1
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASP8:OD2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASP8:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASP8:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASP8:OD1
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASP8:OD2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASP8:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASP8:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASP8:OD1
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASP8:OD2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASP8:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASP8:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASP8:OD1
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASP8:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASP8:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASP8:OD1
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASP8:OD2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASP8:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASP8:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASP8:OD1
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASP8:OD2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASP8:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASP8:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASP8:OD1
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASP8:OD2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASP8:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASP8:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASP8:OD1
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASP8:OD2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASP8:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASP8:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASP8:OD1
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASP8:OD2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN9:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN9:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN9:ND2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN9:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN9:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN9:OD1
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN9:ND2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN9:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN9:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN9:OD1
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN9:ND2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN9:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN9:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN9:OD1
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN9:ND2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN9:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN9:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN9:OD1
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN9:ND2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN9:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN9:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN9:OD1
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN9:ND2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN9:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN9:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN9:OD1
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN9:ND2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN9:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN9:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN9:OD1
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN9:ND2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN9:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN9:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN9:OD1
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN9:ND2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:VAL10:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:VAL10:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:VAL10:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:VAL10:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:VAL10:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:VAL10:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:VAL10:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:VAL10:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:VAL10:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:VAL10:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:VAL10:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:VAL10:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:VAL10:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:VAL10:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:VAL10:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:VAL10:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:VAL10:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:VAL10:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS11:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS11:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS11:ND1
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS11:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS11:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS11:ND1
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS11:NE2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS11:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS11:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS11:ND1
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS11:NE2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS11:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS11:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS11:ND1
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS11:NE2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS11:N
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS11:ND1
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS11:NE2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS11:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS11:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS11:ND1
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS11:NE2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS11:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS11:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS11:ND1
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS11:NE2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS11:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS11:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS11:ND1
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS11:NE2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS11:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS11:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS11:NE2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN12:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN12:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN12:OD1
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN12:ND2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN12:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN12:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN12:OD1
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN12:ND2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN12:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN12:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN12:OD1
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN12:ND2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN12:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN12:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN12:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN12:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN12:OD1
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN12:ND2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN12:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN12:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN12:ND2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN12:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN12:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN12:OD1
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN12:ND2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN12:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN12:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN12:OD1
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN12:ND2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN12:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN12:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN12:OD1
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:ASN12:ND2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER13:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER13:OG
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER13:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER13:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER13:OG
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER13:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER13:OG
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER13:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER13:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER13:OG
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER13:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER13:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER13:OG
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER13:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER13:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER13:OG
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER13:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER13:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER13:OG
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER13:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER13:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER13:OG
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER13:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER13:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER13:OG
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER14:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER14:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER14:OG
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER14:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER14:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER14:OG
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER14:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER14:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER14:OG
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER14:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER14:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER14:OG
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER14:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER14:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER14:OG
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER14:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER14:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER14:OG
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER14:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER14:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER14:OG
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER14:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER14:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER14:OG
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER14:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER14:OG
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER15:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER15:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER15:OG
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER15:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER15:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER15:OG
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER15:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER15:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER15:OG
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER15:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER15:O
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER15:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER15:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER15:OG
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER15:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER15:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER15:OG
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER15:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER15:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER15:OG
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER15:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER15:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER15:OG
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER15:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER15:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER15:OG
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER16:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER16:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER16:OG
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER16:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER16:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER16:OG
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER16:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER16:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER16:OG
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER16:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER16:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER16:OG
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER16:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER16:OG
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER16:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER16:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER16:OG
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER16:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER16:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER16:OG
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER16:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER16:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER16:OG
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER16:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER16:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:SER16:OG
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:LEU17:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:LEU17:OXT
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:LEU17:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:LEU17:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:LEU17:OXT
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:LEU17:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:LEU17:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:LEU17:OXT
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:LEU17:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:LEU17:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:LEU17:OXT
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:LEU17:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:LEU17:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:LEU17:OXT
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:LEU17:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:LEU17:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:LEU17:OXT
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:LEU17:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:LEU17:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:LEU17:OXT
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:LEU17:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:LEU17:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:LEU17:OXT
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:LEU17:N
Sorry, there are no Gasteiger parameters available for atom receptor:A:LEU17:O
Sorry, there are no Gasteiger parameters available for atom receptor:A:LEU17:OXT
Warning: hydrogens,  ['HB3', 'HG21', 'HG11', 'HG23', 'HA', 'HG22', 'HG1', 'HA', 'HG23', 'HB2', 'HZ', 'HD1', 'HA', 'HD2', 'HH12', 'HA2', 'HA3', 'HA', 'HB3', 'HD21', 'HG23', 'HD2', 'HD22', 'HB2', 'HXT', 'HXT', 'HXT']  , with no bonds!
sx:5  sy:4  sz:4  
cx:-0.362  cy:-0.899  cz:-4.709  
start thread 0<br>
start thread 1<br>
start thread 2<br>
start thread 3<br>
start thread 4<br>
start thread 5<br>
start thread 6<br>
start thread 7<br>
start thread 8<br>
start thread 9<br>
start thread 10<br>
start thread 11<br>
start thread 12<br>
start thread 13<br>
start thread 14<br>
start thread 15<br>
start thread 16<br>
start thread 17<br>
start thread 18<br>
start thread 19<br>
start thread 20<br>
start thread 21<br>
start thread 22<br>
start thread 23<br>
one step finished!start thread 0<br>
start thread 1<br>
start thread 2<br>
start thread 3<br>
start thread 4<br>
start thread 5<br>
start thread 6<br>
start thread 7<br>
start thread 8<br>
start thread 9<br>
start thread 10<br>
start thread 11<br>
start thread 12<br>
start thread 13<br>
start thread 14<br>
start thread 15<br>
start thread 16<br>
start thread 17<br>
start thread 18<br>
start thread 19<br>
start thread 20<br>
start thread 21<br>
start thread 22<br>
start thread 23<br>
../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=Guest&time=20240331131404&rec=5vl6.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2024-04-01 03:03:38 -4
开始运行命令： perl ../program/Perlscript_Vina_multithread_blind.pl ../dock_file/Guest/bd-screen/20240331132838/screen ../lib/pdbqt/fdaapp_new 200 null none 4.776 14.207 -5.068 13 12 16 pcybproteinphosphatse.pdb muslahatunnessa@gmail.com 1> ../dock_file/Guest/bd-screen/20240331132838/screen/log.txt 2>../dock_file/Guest/bd-screen/20240331132838/screen/error.txt &
php ../php/sendResult_bd.php ../dock_file/Guest/bd-screen/20240331131404/screen 5vl6.pdb kutubuddinashraf@yahoo.com FDA-approvedupdate status in workRecord success
邮件发送成功