For dynamics with correct rate and correct fluctuation. On Sat, Oct 11, 2014 at 8:09 AM, Dr. Vitaly Chaban <vvcha...@gmail.com> wrote:
> what is it needed for? > > > > Dr. Vitaly V. Chaban > > Виталий Витальевич ЧАБАН > > > On Fri, Oct 10, 2014 at 7:41 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. > -- > 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. > -- 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.
