Re: AMBER: extracting energy from trajector?

From: David Smith <>
Date: 29 Nov 2004 14:04:52 +0100

Hi Murat,

I wanted to add that if this is all you want to do with this data set
then Dr. Simmerling's suggestion of imin=5 (which I had also missed in
the manual) sounds much simpler.

mmtsb really comes into its own with more sophisticated analyses.

Dr. David Smith
Division of Organic Chemistry and Biochemistry
Rudjer Boskovic Institute
Bijenicka 54
10002 Zagreb, Croatia
tel: +385-1-4561252
fax: +385-1-4561118
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Received on Mon Nov 29 2004 - 13:53:00 PST
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