[gmx-users] free energy calculation

Li Qiang liqiang at bii.a-star.edu.sg
Wed Jan 16 09:11:14 CET 2008

Dear all,

Can anybody tell me how to calculate the free energy difference after
running simulation with lamda(0, 0.1,...1)?

I am following the tutorial on wiki, but i have no idea about the
details to do the "data analysis".

any software can do it? and any reference for the instruction? I am new

thanks a lot


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