[gmx-users] pressure and temperature coupling is off in vacuum simulations

[Justin Lemkul]

If you want to ask a new question, please send a new message and don't hijack an 
unrelated topic.

On 9/23/15 7:39 AM, aghaei.arsalan wrote:
>
>
> Dear gmx Users
>
> i am doing a simulation for my experiments.
>
> how can i produce mdp file?
>

It's a text file.  Write it with a plain text editor.

-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

==================================================