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.
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.
-- 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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