[gmx-users] compressibility values in coarse grained simulations

[Dallas Warren]

http://manual.gromacs.org/documentation/current/user-guide/mdp-options.html#mdp-value-pcoupltype=semiisotropic

2 for each.
Catch ya,

Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3052
dallas.warren at monash.edu
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble a
nail.


On Fri, 3 Jan 2020 at 22:03, Deepanshi . <tdeepanshi248 at gmail.com> wrote:

> 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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