free energy,energy,entropy calculation for pushing ATP to active site of kinase!

From: Qiang Zhong (zqiang320_at_webmail.hzau.edu.cn)
Date: Fri Jul 20 2007 - 06:40:44 CDT

Dear NAMD users:
     I have send a similar email,but I have not get answer,So I send again!
     I have use SMD to push ATP to active site of kinase,I have got a .out file,
I want to refer paper "Free Energy Calculation from Steered Molecular Dynamics
Simulations Using Jarzynski's Equality" to calculate free energy ,energy, entropy
, just like Fig.3B in that paper. But example code "cumulants.tcl" only provide
 free energy calculation, could someone tell me how to do it?

Eager to receive your letter!

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