Forces on Atoms and Potential Energy

From: Mohamed Seyam (
Date: Mon Feb 16 2009 - 13:57:01 CST


I am trying to run an namd simulation on a double stranded DNA. I
want to find the total forces on each atom and the potential energy of
each atom throughout the simulation. I tried using the script on the

When I put this script in the config file, it gives me an error:

FATAL ERROR: couldn't open "forces.txt": too many open files
    while executing
"open $filename_check "a""
    (procedure "calcforces" line 4)
    invoked from within

My simulation contains 8229 atoms. Also, is there any way to find the
potential energy of every atoms? I looked through the thread, but
couldn't find an answer.


-Mohamed Seyam

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