RE: AMBER: Restraints

From: Ross Walker <ross.rosswalker.co.uk>
Date: Thu, 13 Nov 2008 11:11:53 -0800

Hi Joseph,

> What are the units of the force constants for restrained atoms in Amber6?

I believe that it is Kcal/Mol/A^2 - so essentially the same as bond force
constants. Although it may have changed since AMBER 6 so someone else might
want to chime in here.

All the best
Ross


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Received on Fri Dec 05 2008 - 14:41:00 PST
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