On Mon, Nov 24, 2008 at 11:46 PM, Justin A. Lemkul <[EMAIL PROTECTED]> wrote: >> Tcoupl = v-rescale >> tc_grps = system >> tau_t = 0.1 >> ref_t = 300.00 > > Maybe you want "Protein Non-Protein" instead of "system" here? But that's > just general advice, without any knowledge of what's in your system.
Just out of curiosity, how is it important to have different temperature coupling groups for the protein and the solvent? What are the problems one might face if a single group of "System" is used? That's what I am doing currently for a simulation of polymer in water. Is it suggested in general to have two different groups? Thanks, Suman. _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
