AMBER Archive (2009)
Subject: [AMBER] why is TAUTP scaled by "e" ?
From: Jose Borreguero (borreguero_at_gmail.com)
Date: Thu Oct 15 2009 - 15:49:18 CDT
Dear Amber users,
>From my simulations, it seems that the time evolution of the temperature
upon heating the system from 300K to 550K with TAUTP=5000psec (very slow
heating) in the input file results in the system being heated with an
Does anybody know why this re-scaling of the TAUTP factor?
Jose M. Borreguero
Oak Ridge National Laboratory
P.O. Box 2008, M.S. 6164
Oak Ridge, TN 37831
Office: 865-241-3071 fax: 865-576-5491
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