AMBER Archive (2007)

Subject: Re: AMBER: potential energy calculation

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Mon Jul 16 2007 - 20:34:01 CDT

it should be the last energies reported in the output file, under
"final results"

On 7/16/07, Lili Peng <lilipeng_at_gmail.com> wrote:
> Dear all,
>
> Quick question...once I have performed the energy minimization on a
> structure, how do I go about calculating the potential energy of the
> structure? I apologize if this question has been asked previously.
>
> Thanks all,
> Lili
>
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