Re: save trajectory only for two residues

From: Chris Harrison (char_at_ks.uiuc.edu)
Date: Tue Jul 06 2010 - 09:42:40 CDT

This is not presently possible natively; however, you could write a
tclforces script to grab the coordinates of select atoms and output them
every X # of steps. Please examine the tclforces section of the manual for
the loadcoords and print commands.

Chris

On Tue, Jul 6, 2010 at 8:13 AM, <wenchangyu2006_at_gmail.com> wrote:

> Dear all,
> Does anybody know how to save trajectory only for two residues of the
> simulation system with NAMD or tcl script? Many thanks.
>
> Best,
> Wenchang

-- 
Chris Harrison, Ph.D.
Theoretical and Computational Biophysics Group
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave., Urbana, IL 61801
char_at_ks.uiuc.edu                            Voice: 217-244-1733
http://www.ks.uiuc.edu/~char               Fax: 217-244-6078

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