AMBER Archive (2009)

Subject: [AMBER] Output forces in Sander

From: Frank X. Vázquez (fxv_at_umich.edu)
Date: Tue Jul 21 2009 - 16:58:36 CDT

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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