Re: extracting info from output files

From: Giacomo Fiorin (
Date: Tue Sep 22 2009 - 15:12:05 CDT

You can load the output files into VMD and plot the dihedrals versus
the frame number.


---- ----
 Giacomo Fiorin
   ICMS - Institute for Computational Molecular Science
     Temple University
     1900 N 12 th Street, Philadelphia, PA 19122
 work phone: (+1)-215-204-4216
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On Tue, Sep 22, 2009 at 2:26 PM, Rajiv Abhyankar
<> wrote:
> Hello all, I have been using the NAMD software for running SMD simulations.
> Once I run the simulation, the program generates 4 files - .xsc , .coor ,
> .dcd and .vel right? Suppose I want to follow a particular dihedral angle
> through the simulation. When the simulation is running I know how to do this
> using the Tcl script. But is there a way in which I can extract that
> information or any other such information ( like bond lengths, etc.) after
> the simulation is finished? I was thinking on the lines of writing the
> TclForces script inside the coorfile command but that does not seem to
> work.Could you please help me out with this? Rajiv Abhyankar

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