Re: AMBER: questions about NMODE

From: David A. Case <case.scripps.edu>
Date: Wed, 28 Apr 2004 15:24:34 -0700

On Wed, Apr 28, 2004, xhu1.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.scripps.edu
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
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Received on Wed Apr 28 2004 - 23:53:00 PDT
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