Dear gromacs user, What I have already done in Free energy simulation was to use the output configuration of the last lambada windows as input configuration (lambada_n.gro) for the new lambada windows and so on, which this make simulation so time demanding as one lambada should start after the other one. However, I was wondering if it is possible(Meaningful) to simulate each windows associated with each lambda in FEP, completely independent to each other, so that all the windows could start simultaneously and then much more time would be saved?
Thanks, Regards, Alex -- 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 gmx-users-requ...@gromacs.org.
