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
or NPT?
-Justin
--
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?
Many thanks,
Neena
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