[gmx-users] how to make .trr file readable
jalemkul at vt.edu
Tue Dec 1 14:13:47 CET 2015
On 12/1/15 8:11 AM, Ayesha Kanwal wrote:
> Dear Bipin Singh,
> i had read MDAnalysis but i could not get it to how make .trr file readable . could you provide me an easy tutorial ? or number of steps to which i can easily follow it and make .trr readable. or there is any source code which i can use for reading this file.
"Readable" is a bit vague. What are you trying to do? There are various GROMACS
utilities that will already print out the content of the .trr itself, like gmx
dump, gmx traj, etc, as well as a GROMACS library for reading/writing .xtc,
.edr, and .trr files:
>> Date: Tue, 1 Dec 2015 18:17:49 +0530
>> From: bipinelmat at gmail.com
>> To: gmx-users at gromacs.org
>> Subject: Re: [gmx-users] how to make .trr file readable
>> Thanks and Regards,
>> Bipin Singh
>> On Tue, Dec 1, 2015 at 6:10 PM, Ayesha Kanwal <ayesha_comsian at hotmail.com>
>>> Dear Gromacs experts,
>>> i am very new to Gromacs i only want to take .trr file and make it
>>> readable . as i want to use .trr file in my own tool as an input format.
>>> how can i make it readable and can use it in my tool ?
>>> Best regards
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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
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