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

[Dallas Warren]

Check the literature .....

https://scholar.google.com.au/scholar?q=molecular+dynamics+simulation+of+gases+at+high+pressure
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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