Recalculating energies from DCD file

From: Chang, Christopher (
Date: Fri Oct 07 2005 - 18:05:37 CDT


   I have a DCD file from a prior dynamics run, in which I saved only
the protein coordinates. I would like to step through this file and
calculate the energy of each snapshot, but the VMD "animate read"
command doesn't seem to work in a NAMD configuration file, nor does
reloading coordinates and bincoordinates inside a TCL "for" loop from
dumped coordinate files.
   Is there a way in the current NAMD release to do something like this?



Christopher H. Chang, Ph.D.
Research Associate
National Renewable Energy Laboratory
1617 Cole Blvd., Mail Stop 1608
Golden, CO 80401
Phone (303) 275-3751
Fax (303) 275-4007

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