AMBER Archive (2007)

Subject: Re: AMBER: units in hessian matrix

From: David A. Case (case_at_scripps.edu)
Date: Thu Feb 15 2007 - 11:31:01 CST

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 Å. Hence, the hessian is
in kcal/mol-Ų

...dac

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