AMBER Archive (2006)

Subject: AMBER: minization: outputing intermediate snapshots

From: Vlad Cojocaru (Vlad.Cojocaru_at_eml-r.villa-bosch.de)
Date: Fri Feb 10 2006 - 09:05:59 CST

Dear amber users,

I was wondering if there is any way to output intermediate coordinates
during a minimization run.... I looked at setting ntwr<0 but it did not
produce any intermediate rst output..

Does anybody know how to do this?

Thanks
vlad 

-- 
Dr. Vlad Cojocaru
EML Research gGmbH
Molecular and Cellular Modeling Group
Schloss-Wolfsbrunnenweg 33
69118 Heidelberg, Germany
Phone: +49-6221-533266
Fax: +49-6221-533298
e-mail: Vlad.Cojocaru_at_eml-r.villa-bosch.de
http://projects.villa-bosch.de/mcm/people/cojocaru/

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