Re[2]: [gmx-users] how to get averaged coordinates for a residue in a time interval?

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...

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

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. -- gmx-users mailing listgmx-users@gromacs.org

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

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

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

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 jalem...@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