[gmx-users] puzzled about hydration free energy of Toluene

Jinyao Wang wangjy at ciac.jl.cn
Tue Sep 1 15:31:31 CEST 2009

     I am performing a calculation about Solvation free energy according to a brief tutorial on hydration free energy of Toluene. 
 I have some puzzled about it. In hydration of Toluene, the simulated system may be 1 Toluene and 512 water, but in vacuo, I don't know how many Toluene should be in the simulated system.


        Jinyao Wang
        wangjy at ciac.jl.cn

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