[AMBER] Units of SMD Simulation Output

From: Joseph Seemiller <me.josephseemiller.com>
Date: Mon, 6 Jun 2011 16:16:44 -0400


I am unsure of the units in the file output from an SMD simulation. The
first two lines of a dist_vs_t file are as follows:
    36.51000 36.50836 16.43172 0.00000
    36.50993 36.51118 -12.49855 -0.00013

I believe columns 1&2 measure distance and should be in Angstroms.
Column 4 measures work, and I believe is in kcal/mol

Column 3 measures force. Does anybody know what unit the force is in? Is it

Thank you!

Joseph R. Seemiller
E-mail: me.josephseemiller.com
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Received on Mon Jun 06 2011 - 13:30:02 PDT
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