[gmx-users] How to perform MD in TFE+solvent solution in Gromacs

[Justin Lemkul]

On 8/8/15 3:00 AM, Bikash Ranjan Sahoo wrote:
> Dear all,
>
> I want to do MD simulation of my protein using simple water and water+TFE
> solvent.
>
> I have no idea how to setup a system for the water+TFE system.
>
> Kindly guide me if you have experiences.
>

http://www.gromacs.org/Documentation/How-tos/Non-Water_Solvation
http://www.gromacs.org/Documentation/How-tos/Mixed_Solvents

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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