Hello Amber users,
I was wondering if there is a way to output forces in Sander. I would
like to output the Van der Walls and electrostatic contributions to the
non-bonded forces for each time step. I know that the forcedump option
can do this, but it also outputs more data than I need and quits the
program after it is called. I was also wondering what are the units of
the forces used by Sander.
Thank you for your help,
Frank Vázquez
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Received on Tue Jul 21 2009 - 18:08:51 PDT
