Re: AMBER: Umbrella sampling

From: David A. Case <case.scripps.edu>
Date: Fri, 7 Apr 2006 13:56:48 -0700

On Fri, Apr 07, 2006, venditti2.unisi.it wrote:

> in teh exemple reported on the Amber8 manual (pag 138) in which units is
> reported the force constant?

The force constant is twice rk2, which is in units of kcal/mol-radian.

See the expanded explanation on p. 159 of the Amber 9 Users' manual (available
at http://amber.scripps.edu).

....dac

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Received on Sat Apr 08 2006 - 18:29:15 PDT
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