[gmx-users] which file to use to analyze trajectory using code

Eric Smoll ericsmoll at gmail.com
Tue Jun 9 06:01:53 CEST 2015


Hello Sahithya,

Here is one solution:
http://www.gromacs.org/Developer_Zone/Programming_Guide/XTC_Library

Best,
Eric

On Mon, Jun 8, 2015 at 9:56 PM, Sahithya S Iyer <sah2714 at gmail.com> wrote:

> Dear users,
>
> If one wanted to analyze the trajectory obtained on production run for a
> property of the protein that is not already defined in the gromacs
> programs, which file should be used for analysis ?
>
> If one were to write an external code to analyze this property, .trr, .tpr,
> .xtc files cannot be used as they are binary files. How then can the
> trajectory be analyzed ?
>
> ​Thanks for your time​
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