[gmx-users] .trr file

[Swapnil Kate]

hello, 

Yeah nst options worked perfectly.Thank you very much for the valuable comments.
RegardsSwapnil
 


     On Friday, 5 June 2015 10:26 PM, Justin Lemkul <jalemkul at vt.edu> wrote:
   

 

On 6/5/15 4:42 AM, Vy Phan wrote:
> Hi,
> Put the command line nstout, nstout (Output control-chapter 5-Gromacs
> manual) on your mdp file.
>

Probably you mean "nstxout," which is an .mdp keyword, not a command-line option.

-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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