Hello,
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
[email protected]
2009-09-01
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