[gmx-users] .trr file

[Justin Lemkul]

On 6/5/15 12:36 AM, Swapnil Kate wrote:
> hello,
>
> These are my files, in EM step it is generating .trr file and in NVT and NPT it coulden't.
> I am still working on the problem so I could generate trajectory file.can you please go through and let me the problem.I will keep trying meanwhile

The list doesn't accept attachments, so you can't provide files in this way. 
Copy and paste in the body of an email works well for small files, otherwise 
upload them to a file-sharing service and provide a link.  Using diff on the 
files should be quite clear, as well as the fact that nstxout, nstvout, and 
nstfout are the only relevant options.

-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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