VMD-L Mailing List

From: Giovanni Bellesia (gbellesia_at_chem.ucsb.edu)
Date: Fri Aug 08 2008 - 17:36:44 CDT

Hi,
I don't know exactly what dihedrals you want to calculate, but what you
should do
is to play a little with the command "measure dihed" within a loop over
your trajectory.

http://www.ks.uiuc.edu/Research/vmd/current/ug/node124.html

Giovanni

PS: I've been using this command with both fully atomic and coarse
grained protein models.

> Dear community,
> can anyone point me out to the script to calculate dihedral angles
> over trajectory files. i've seen geometry.tcl script, but that one
> doesn't deal with trajectory dcd files.
>
> 

-- 
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Giovanni Bellesia
Department of Chemistry and Biochemistry
University of California, Santa Barbara
Santa Barbara, California 93106-9510, USA.
Email: gbellesia_at_chem.ucsb.edu
Phone: 805 893 2767
Web: http://www.chem.ucsb.edu/~sheagroup/
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