[gmx-users] how to get averaged coordinates for a residue in a time interval?

[Tsjerk Wassenaar]

Well, you could also use g_rmsf with -b and -e, and a suitable index file...

Cheers,

Tsjerk

On Thu, Apr 1, 2010 at 6:18 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:
>
>
> Wu Rongqin wrote:
>>
>> Dear all,
>>
>> How to get the averaged coordinates for a short time range say, 10 ps?
>> which utility should be used?
>
> g_traj to extract the coordinates, g_analyze to do averaging.
>
> -Justin
>
>>
>> r. q.
>>
>
> --
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> Justin A. Lemkul
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> Virginia Tech
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-- 
Tsjerk A. Wassenaar, Ph.D.

post-doctoral researcher
Molecular Dynamics Group
Groningen Institute for Biomolecular Research and Biotechnology
University of Groningen
The Netherlands