[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20111111/c3d8ce3d/attachment.html>
More information about the gromacs.org_gmx-users
mailing list