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

Sahithya S Iyer sah2714 at gmail.com
Tue Jun 9 08:03:35 CEST 2015


Thanks for the link Eric !

I am unable to open the following link though -
ftp://ftp.gromacs.org/pub/contrib/xdrfile-1.1.4.tar.gz



On Tue, Jun 9, 2015 at 9:31 AM, Eric Smoll <ericsmoll at gmail.com> wrote:

> 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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-- 
Sahithya S Iyer


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