Then, run true NVE, for the reasons we already pointed.
On Sat, 11 Oct 2014, Johnny Lu wrote:
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.
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