AMBER Archive (2004)

Subject: Re: AMBER: extracting energy from trajector?

From: David Smith (David.Smith_at_irb.hr)
Date: Mon Nov 29 2004 - 07:04:52 CST

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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