Bias-exchange metadynamics

From: Fidan Sumbul (fidansumbul_at_gmail.com)
Date: Sun Oct 18 2015 - 18:16:34 CDT

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Dear NAMD users,

I would like to perform a bias-exchange metadynamics simulation using NAMD.
I have prepared my colvar and namd configuration files for each of my CVs
(10 colvars) with the help of CVs module reference manuel. However, I could
not find any explanation about how to exchange the biases between the
replicas after a predefined steps of multiple replica metadynamics run.
Should I restart the multiple replica metadynamics by interchanging the
.state files of the replicas?

Thank you in advance for your help.

-- 
Fidan Sumbul
PhD Student and T.A.
Polymer Research Center
Department of Chemical Engineering
Bogazici University

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