> On Jun 5, 2014 8:34 AM, "#ZHANG HAIPING#" <hzhang...@e.ntu.edu.sg> wrote: >> >> Dear gromacs user： >> >> I have used follow .mdp to run the replica exchange simulation, after the > simulation, I find the water box become much larger in high temporature > replicas, can anyone tell me how to solve this? By the way, is it caused by > the water box not large enough?
This means that your "high temperature" in REMD is higher than you actually want it to be. Decrease it. Dr. Vitaly V. Chaban -- 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.
