[gmx-users] compressibility values in coarse grained simulations

Deepanshi . tdeepanshi248 at gmail.com
Fri Jan 3 12:01:24 CET 2020


Dear all,

I am using the coarse-grained molecular dynamics simulation to study
membranes. In the production run .mdp file, to control the pressure I am
using semiisotropic in the Pcoupltype option. I wanted to ask how many
values I should give to compressibility and ref_p and what will happen if I
give more or fewer values than the actual values?
Also, I wanted to ask that for coarse-grained simulations the value for
compressibility should be 3e-5 or 4e-5?

Thanks.

Regards,
Deepanshi.


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