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

[Jinyao Wang]

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
　　　　　　　　wangjy at ciac.jl.cn
　　　　　　　　　　2009-09-01