[gmx-users] LIE method
mahboobeh.eslami at yahoo.com
Sat May 31 11:40:41 CEST 2014
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?
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