[gmx-users] H bond dynamics, remove thermostat?
jalemkul at vt.edu
Mon May 6 14:26:42 CEST 2019
On 5/3/19 10:20 AM, Neena Susan Eappen wrote:
> Hello gromacs users,
> I am interested in studying the H-bond dynamics of my protein. Do you recommend to turn off thermostat for production run?
Why is an NVE ensemble more appropriate for what you're doing than NVT
Justin A. Lemkul, Ph.D.
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