Hi all,
One more similar question:
How can I get (in the quickest way!) any form of the Lindemann parameter for
rather big molecular crystal?
(I mean averaged relative fluctuations in the intermolecular distance)
> Well, you could also use g_rmsf with -b and -e, and a suitable index file...
>
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 wrote:
>
>
> Wu Rongqin wrote:
>>
>> Dear all,
>>
>> How to get the averaged coordinates for a short time range say, 10 ps?
>> which utility should be use
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.
--
Justin A. Lemkul
Ph.D. Candidate
I
Title: how to get averaged coordinates for a residue in a time interval?
Dear all,
How to get the averaged coordinates for a short time range say, 10 ps? which utility should be used?
r. q.
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