Hello, The following link should help.
http://www.gromacs.org/Documentation/Terminology/Thermostats Best, Eric On Sun, Jan 27, 2019 at 6:46 PM ZHANG Cheng <[email protected]> wrote: > 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]. > -- 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].
