In the mdp file, I am using "tcoupl = v-rescale".
Is there a difference between using "system" and separating groups for "tc-grps"? e.g. ; using "system": tc-grps = system tau-t = 1.0 ref-t = 335 ; using separating groups: tc-grps = Protein W NA CL tau-t = 1.0 1.0 1.0 1.0 ref-t = 335 335 335 335 Thank you! -- 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].
