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

[Bikash Ranjan Sahoo]

Dear Dr. Justin,

Thank you very much for your kind reply.


​-Bikash​


On Sat, Aug 8, 2015 at 8:32 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> 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
>
> --
> ==================================================
>
> 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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