On 2011-11-11 21:29, Sanku M wrote:
Hi,
I just wanted to check whether g_wham ( in gromacs4.5.4) already
subtractthe entropic contribution ( -2KTlog(r) term ) term when
unbiasing the histogram obtained from umbrella sampling using distance
in 3D as a reaction coordinate.
Thanks
Sanku
If it does
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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