[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
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