On Tue, 12 Jul 2016 01:56:42 +0200 Alexander Alexander <[email protected]> wrote:
> I was wondering that how I can have for example two different > "couple-moltype" in free energy part of my *.mdp file in FEP, > alchemical transformation? The reason for having two is to perturb > each of them differently in ordered steps. You don't quite say what you are trying to do but you can always work with more than one topology file. -- 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].
