[gmx-users] Temperature in Non-equilibrium MD simulation.
znamenski at gmail.com
Wed Apr 1 15:47:46 CEST 2015
Does the speed of your flows have comparable scale as the speed of sound?
If very less, don't worry about temperature.
On Wed, Apr 1, 2015 at 6:10 AM, Ho, Tuan A. <tuanho at ou.edu> wrote:
> Dear all,
> As far as I understand GROMACS did NOT exclude the streaming velocity
> (Poisseuille flow) from the temperature calculation and I think it is not
> correct. I was wondering if someone has modified Gromacs code to obtain a
> good thermostat. Please let me know. Thank you very much.
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