[gmx-users] Use NVT to mimic NVE

Johnny Lu johnny.lu128 at gmail.com
Fri Oct 10 19:41:45 CEST 2014


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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