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
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Jan 17 2017 - 11:00:03 PST