exchange force constants

From: Lu Hong (
Date: Mon Jul 21 2014 - 08:50:24 CDT

Dear All,

I've been trying to implement a version of hamiltonian replica exchange in which each replica is subjected to a dihedral constraint that has a unique center as well as force constant. As per suggestions from previous emails, I have created individual config files for each replica to read in. And this method has worked well, until I discovered that NAMD will only exchange the center of each biasing potential, but not the associated force constant. Does anyone know of a way to work around it? Or is this an inherent limitation of NAMD? Thank you.


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