seems to be a good idea, as the "canonical sampling through velocity rescaling" paper by G.Bussi said.
arxiv.org/pdf/0803.4060 On Fri, Oct 10, 2014 at 1:41 PM, Johnny Lu <johnny.lu...@gmail.com> wrote: > Hi. > > Is it a good idea to mimic NVE by a NVT simulation with a large > temperature coupling time constant, to reduce the effect of the thermostat ? > > If I use V-rescale thermostat, what artifacts will the simulation get if I > use a large coupling time (say, 500 ps) and single precision gromacs ? > > 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 gmx-users-requ...@gromacs.org.
