where does the second boost in accelMDdual mode refer to

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 Evangelidis
PhD student
University of Athens
Faculty of Pharmacy
Department of Pharmaceutical Chemistry
157 71 Athens
email: tevang_at_pharm.uoa.gr
website: https://sites.google.com/site/thomasevangelidishomepage/

This archive was generated by hypermail 2.1.6 : Tue Dec 31 2013 - 23:22:46 CST