AMBER Archive (2004)

Subject: Re: AMBER: questions about NMODE

From: David A. Case (case_at_scripps.edu)
Date: Wed Apr 28 2004 - 17:24:34 CDT

On Wed, Apr 28, 2004, xhu1_at_memphis.edu wrote:
>
> Normal mode analysis, coordinates have been minimized
> &data
> ntrun=1
> cut=8.5
    ^^^^^^

Your cutoff for nmode should be 9999., just as for sander. At the beginning
you should also set nvect (to a small number) as well.

...hope this helps...dac 

-- 

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David A. Case                     |  e-mail:      case_at_scripps.edu
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
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