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
--
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].