Qian Wang wrote:
Hi,
I used umbrella sampling method to restrain the distance of two
molecules at several distances. Then I can use g_wham to get the free
energy as a function of the distance. Is there any way that I can get
the free energy as a function of another parameter? Thanks a lot.
Please define what the other parameter is. Right now the only answer is "maybe,
maybe not."
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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