[gmx-users] How to define the (CH4-->CH3-CH3) topology files?

PeiQuan Chen gromacs at 163.com
Fri Apr 11 14:41:02 CEST 2003

Dear gmx-users:
   I want to calculate the free energy CH4-->CH3-CH3. But I don't know how to define the topology files!
   Can anyone tell me how to define the topology files and give me a example of it??
   Thank you very much!  

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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