Also, just one more floating query... In presssure coupling, Previously, I have been using tau_p = 1.0
but for this simulaion, I have changed it to tau_p = 2.0 This was after seeing the mdp file of one of your tutorials. Just wanted to confirm if that's okay. -- 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.