AMBER Archive (2009)

Subject: [AMBER] why is TAUTP scaled by "e" ?

From: Jose Borreguero (
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
effective TAUTP=13570=e*5000

Does anybody know why this re-scaling of the TAUTP factor?

Jose M. Borreguero
Postdoctoral Associate
Oak Ridge National Laboratory
P.O. Box 2008, M.S. 6164
Oak Ridge, TN 37831
Google-voice: 404-567-6035
Office: 865-241-3071 fax: 865-576-5491
AMBER mailing list