Re: free energy calculate

From: Mark Abraham (
Date: Fri Jun 16 2006 - 01:44:05 CDT

Taeho Kim wrote:
> I think that free energy is changed When ions passing a pore of channel.
> So, I want to check it.

It sounds like you want the so-called TI or thermodynamic integration
methods. See the paper here
for a starting point - it's just the first paper Google referenced and a
starting point for you to read, because it is not an original TI paper.


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