[gmx-users] LIE method

Mahboobeh Eslami mahboobeh.eslami at yahoo.com
Sat May 31 11:40:41 CEST 2014

dear justin
I sincerely thank you for your good adviceI have done all the steps that you've said.
if I use α=0.181 and  β=0.5 , the free energy calculation results will be very different from the experimental values But if i use α=0.5 and  β=1.043  (According for results  Aqvist et al 1994, 1998) ,  the results will  close to the experimental values.
What suggestions do you have for the α,β and γ  parameters?
best regards

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