[gmx-users] read trr file

[Patrick Fuchs]

Hi Tsjerk,
I would be very interested by your python code. Does it also read xtc 
files? Shall I contact you off-list? Thanks.
Best,

Patrick

Le 26/11/2014 06:26, Tsjerk Wassenaar a écrit :
> I also have Python code to read TRR files directly. Contact me if you're
> interested.
>
> Cheers,
>
> Tsjerk
> On Nov 26, 2014 5:44 AM, "RINU KHATTRI" <nickname.mittu at gmail.com> wrote:
>
>> 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
>>>
>>> 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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-- 
_______________________________________________________________
Patrick FUCHS
Dynamique des membranes et trafic intracellulaire
Institut Jacques Monod, CNRS UMR 7592, Université Paris Diderot
Bâtiment Buffon, 15 rue Hélène Brion, 75013 Paris
Tel :  +33 (0)1 57 27 80 05 - Fax : +33 (0)1 57 27 81 35
E-mail address: patrick.fuchs at univ-paris-diderot.fr
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