[gmx-users] A small Questions of umbrella samping

vg vgsplayer1 at 163.com
Sat Dec 6 04:54:22 CET 2014

Dear gromacs users

I read the tutorial of umbrella sampling and have a small question I don't know

I do a umbrella samping simulation as the tutorial show us, the pmf image also like the tutorial result . 
But I was read another papers like the explain paper of g-wham: JCTC 2010.6 3713-3720. The pmf image have a immediately move up in figure 1&2 。

How could I get the pmf image like this? do I need to take more window in the high energy barrier position or just use some commands behind the g-wham or modify the map file ?

Look forward reply and thank you very much

P.S. i take the two figure in attachment please check.

Your sincerely  Cao

China ,TianJin, Nanking university 
School of physics

发自我的 iPad

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