[gmx-users] How to define the value of compressibility?????????

[PeiQuan Chen]

Dear gmx-users：
   Recently I want to make a equilibriumed box(3.25878nm 3.25878nm 3.25878nm) contianing 216 CCl4 molecules.The density of the box is just as the experimental data.
   First,I build the box use genbox program,and do an energy miniziation on the box.
   Second,I want to get the NVT and NPT ensemble molecular dynamics simulation to obtain the equilibriumed box.But I have some trouble in define the compressibility.From the user manual,I know the value for water is 4.5e-5.But the value of the CCl4 isn't listed in the manual.
   Can anybody help me?How to obtain the compressibity value of solute other than water?
   Thanks in advance!!!

Sincerely yours
---- 
PeiQuan Chen
________________________________________________________________________
PeiQuan Chen 	Department of Chemistry, Nankai University
WeiJin Road 94, TianJin, 300071, P.R.China
phone:	(86)2223506728		Mobile Phone: (+86)13920675030
gromacs at 163.com	
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