On Wed, 28 Dec 2016 17:24:08 +0100 Alex <[email protected]> wrote:
> Thank for your response. > > You mean for the TI analysis, now problem if one .xvg file (e.g. > case.3.xvg) has just 15 columns while another .xvg file (e.g. > case.18.xvg) has 20 columns? and still the "alchemical analysis > package" could be used to calculate the free energy change via TI > method? I suppose you mean David Mobley's tool. Yes, it can do that. You can easily check that yourself though. -- 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].
