dear alan The error has been resolved I thought Babel is required for the pdb file not for mol2. Thank you. Good luck
On Wednesday, November 27, 2013 10:38 PM, Alan <[email protected]> wrote: I haven’t upload the fix, but essentially, if you install openbabel, these error would disappear. Alan On 27 November 2013 18:48, Mahboobeh Eslami <[email protected]> wrote: hi my friends, please help me > >i use acpype for my ligand > >but i get following error: > >ACPYPE FAILED: 'MolTopol' object has no attribute 'chiralGroups' > >thanks >-- >Gromacs Users mailing list > >* Please search the archive at >http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! > >* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > >* For (un)subscribe requests visit >https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a >mail to [email protected]. > -- Alan Wilter SOUSA da SILVA, DSc Bioinformatician, UniProt European Bioinformatics Institute (EMBL-EBI) European Molecular Biology Laboratory Wellcome Trust Genome Campus Hinxton Cambridge CB10 1SD United Kingdom Tel: +44 (0)1223 494588 -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to [email protected].
