AMBER Archive (2009)
Subject: Re: [AMBER] units of measures
From: case (case_at_biomaps.rutgers.edu)
Date: Thu Oct 22 2009 - 07:42:11 CDT
On Thu, Oct 22, 2009, lorenzo wrote:
> My question is: I noticed the consistent use throughout the AMBER manual
> of units of measure such as kcal/mol-Å^2, for the stiffness of harmonic
> constraints, or even kcal/mol-e for the electrostatic potential. Might I
> safely assume that they correspond to kcal/mol/Å^2 and kcal/mol/e or am
> I missing something?
If it is indeed unclear, one could write units of a force constant more
explicitly as kcal/(mol-A^2) or (kcal/mol)/A^2.
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