From: Ashkan Shekaari (shekaari_at_email.kntu.ac.ir)
Date: Mon Sep 28 2020 - 11:37:29 CDT
How one could prepare suitable input files for a Replica Exchange Umbrella Sampling simulation?
How is it possible to introduce the biasing potential to an equilibration simulation?
Where and to what file the biasing potential should be added?
-- All the best, Ashkan Shekaari, Ph.D Candidate in Solid State Physics, K. N. Toosi University of Technology, Tehran, Iran
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