AMBER Archive (2008)

Subject: Re: AMBER: Inquiry on analyzing the amplitude from nmdout results

From: David A. Case (case_at_scripps.edu)
Date: Wed Mar 19 2008 - 16:46:10 CDT

On Wed, Mar 19, 2008, James Thomas wrote:
>
> I just finished run the nmode program, using the ntrun=1, after doing
> minimization with ntrun=4. However, the results has not information on
> amplitude, is there any other setting that I should set before that?
> I only obtained energy & entropy information, but not the amplitude that I
> want.

The eigenvectors are written to the "vecs" file, provided you have set nvect
to a value greater than 0.

...dac

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