[gmx-users] (no subject)

Iman Ahmadabadi imanahmadabadi75 at gmail.com
Thu Aug 10 11:42:05 CEST 2017

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.


More information about the gromacs.org_gmx-users mailing list