[gmx-users] Best Force Field For Gases at High pressure

Dallas Warren dallas.warren at monash.edu
Wed Jul 19 01:33:12 CEST 2017

Check the literature .....

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 19 July 2017 at 01:22, Sam Dav <samdav800 at gmail.com> wrote:
> Hello GROMACS users
> Does anyone have an idea about the suitable force field for gases (Methane,
> Oxygen, and  Nitrogen) at high pressure (above 300 bar)?. I have tried with
> most of the force fields in GROMACS but the physical properties were far
> from the experimental values.
> Thank you in advance
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