Dear all, I am doing MD simulation for comparatively smaller systems with Gromacs (older version of 4.5.5). I know you are allowed to attach one thermostat to each temperature coupling group you've assigned, with a particular "ref-t" and "tau-t" valuable. But I am testing the bath models, so my question is can I attach two or more Langevin-type stochastic thermostats to only one group (or one atom) at the same time. Theoretically, it would be just a change to the equation of motion, but I don't know if it can be achieved by only changing the topology inputs. Or maybe one has to change the source code a bit?
Any suggestions will be helpful. Thank you very much in advance! Lovuit -- 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.
