Re: AMBER: units in hessian matrix

From: David A. Case <case.scripps.edu>
Date: Thu, 15 Feb 2007 09:31:01 -0800

On Thu, Feb 15, 2007, Marie Brut wrote:
>
> Could you give me the units of the term of the hessian matrix calculated in
> NMODE ?

Amber energies are in kcal/mol, distance in . Hence, the hessian is
in kcal/mol-Ų

...dac

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Received on Sun Feb 18 2007 - 06:07:21 PST
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