[gmx-users] g_wham and entropic subtraction

Sanku M msanku65 at yahoo.com
Fri Nov 11 21:29:24 CET 2011


Hi,
  I just wanted to check whether g_wham ( in gromacs4.5.4) already subtract the entropic contribution ( -2KTlog(r) term ) term when unbiasing the histogram obtained from umbrella sampling using distance in 3D as a reaction coordinate.
Thanks
Sanku
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