[gmx-users] entropic contribution from Umbrella Sampling

Steven Neumann s.neumann08 at gmail.com
Sat Mar 17 21:28:17 CET 2012


Dear Gmx Users,

I am wondering whether is there any possibility to extract the entropic
part of the binding free energy of the ligand to protein using Umbrella
Sampling?

Thaank you,

Steven
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