Re: extracting info from output files

From: Axel Kohlmeyer (
Date: Tue Sep 22 2009 - 14:03:12 CDT

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

how about just using VMD on the trajectory file?



Dr. Axel Kohlmeyer
Institute for Computational Molecular Science
College of Science and Technology
Temple University, Philadelphia PA, USA.

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