From: Thomas Evangelidis (tevang3_at_gmail.com)
Date: Sun Nov 18 2012 - 16:25:50 CST
Dear NAMD users/developers,
The NAMDv2.9 user guide states that when accelMDdual is on, two independent
boost potentials will be applied: one to the dihedral potential and a
second to the (Total - Dihedral) potential.
I assume the first boost refers to the energies in the "DIHED" column of
the output. Does the second boost refer to the "POTENTIAL" energy minus
"DIHED" energy, or to the "TOTAL" energy minus "DIHED"?
thanks in advance,
Thomas
-- ====================================================================== Thomas Evangelidis PhD student University of Athens Faculty of Pharmacy Department of Pharmaceutical Chemistry Panepistimioupoli-Zografou 157 71 Athens GREECE email: tevang_at_pharm.uoa.gr tevang3_at_gmail.com website: https://sites.google.com/site/thomasevangelidishomepage/
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