[gmx-users] Use NVT to mimic NVE
Dr. Vitaly Chaban
vvchaban at gmail.com
Sat Oct 11 14:10:38 CEST 2014
what is it needed for?
Dr. Vitaly V. Chaban
Виталий Витальевич ЧАБАН
On Fri, Oct 10, 2014 at 7:41 PM, Johnny Lu <johnny.lu128 at gmail.com> wrote:
> 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-request at gromacs.org.
More information about the gromacs.org_gmx-users