[gmx-users] Biasing potential query
abhisek.mndl at gmail.com
Tue May 30 11:40:33 CEST 2017
I have been trying to perform an umbrella sampling on a protein-ligand
system. With this regard, I have a very basic question to ask.
During md_umbrella step (simulation step for PMF generation), how
should we decide a good biasing potential value ? Is there any particular
way regarding the same ?
A few words of advice would have been very nice.
*Senior Research Fellow*
*Structural Biology and Bioinformatics Division*
*CSIR-Indian Institute of Chemical Biology*
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