AMBER Archive (2009)

Subject: [AMBER] force units

From: Brad Dickson (adynata_at_gmail.com)
Date: Thu Jun 18 2009 - 02:14:31 CDT

What are the operational, or internal, units of force in AMBER9? I saw an
email reporting the force dump is in kcal/mole/A and another email reporting
the internal units of velocity are A/(1/20.455 ps). Where is this kind of
information listed? I cannot find this in the manual and the link in one of
the old emails (http://ambermd.org/formats.htm) is a dead link now.

I simply want to know the units of the force array, as it is passed to the
integrator.

thanks

-brad
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