[gmx-users] ACPYPE now works with GAFF2

Alan alanwilter at gmail.com
Tue Jan 17 19:45:00 CET 2017


Now one can do:

acpype -a gaff2 -i ...

See 'acpype -h' for more details:

  -a ATOM_TYPE, --atom_type=ATOM_TYPE
                        atom type, can be gaff, gaff2, amber (AMBER14SB) or
                        amber2 (AMBER14SB + GAFF2), default is gaff

Thanks for using ACPYPE,

Alan

-- 
Alan Wilter SOUSA da SILVA, DSc
Senior 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


More information about the gromacs.org_gmx-users mailing list