[gmx-users] determining of Kn and Posn in Umbrella sampling

Mark Abraham Mark.Abraham at anu.edu.au
Sun Dec 16 09:47:42 CET 2007

Farzad Molani wrote:
> Hi dear
> I want to compute PMF between two amine molecoules by umbrella sampling 
> but I do'nt know Kn and Posn in umbrella samplig how are determining.
> if you are having points please help me.

It sounds like you need some textbook-type material. Try googling 
"umbrella sampling" for a start.


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