[AMBER] Output forces in Sander

From: Frank X. Vázquez <fxv.umich.edu>
Date: Tue, 21 Jul 2009 22:58:36 +0100

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

AMBER mailing list
Received on Tue Jul 21 2009 - 18:08:51 PDT
Custom Search