[gmx-users] (no subject)
dan.gil9973 at gmail.com
Fri Aug 11 16:11:00 CEST 2017
If I understand, you are planning on calculating the surface tension of
To me, it seems odd that you would try to apply a surface-tension couple to
your system, and then calculate the surface tension.
On Thu, Aug 10, 2017 at 5:42 AM, Iman Ahmadabadi <imanahmadabadi75 at gmail.com
> Dear Users,
> I'm determining my .mdp file for NPT equilibration, but I don't know how to
> determine the ref_p section of mdp.
> pcoupl = berendsen
> pcoupltype = surface-tension
> tau_p = 0.5 0.5
> ref_p = 1.0 1.0
> compressibility = 4.46e-5 4.46e-5
> I'm gonna to calculate surface tension for a layer of water.
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