Re: AMBER: nmode

From: David A. Case <>
Date: Tue, 3 Apr 2007 08:25:52 -0700

On Tue, Apr 03, 2007, Marie Brut wrote:
> could you tell me how to obtain the total energy at the end of a
> Newton-Raphson minimization in nmode ?

In the output file, the quantity called "F" is the total energy.

...good luck...dac

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Received on Wed Apr 04 2007 - 06:07:45 PDT
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