[gmx-users] read trr file

[RINU KHATTRI]

you can also  read .trr file by the use of matlab code

On Wed, Nov 26, 2014 at 9:01 AM, Justin Lemkul <jalemkul at vt.edu> wrote:
>
>
> On 11/25/14 9:04 PM, 石锐 wrote:
>>
>> Hi all,
>>
>> I have generated a large .trr file (~500 G) from a simulation. To save the
>> space, I just want to write a C/C++ code to read and manipulate the binary
>> .trr file directly rather than convert it to a readable .gro or .pdb file.
>> However, I cannot find the format of .trr file from the manual. Is there
>> anyone who knows how to read the .trr file ?
>>
>
> The XDR library can be used to do this:
>
> http://www.gromacs.org/Developer_Zone/Programming_Guide/XTC_Library
>
> -Justin
>
> --
> ==================================================
>
> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
>
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> University of Maryland, Baltimore
> 20 Penn St.
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>
> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
> http://mackerell.umaryland.edu/~jalemkul
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