[gmx-users] I am not able to write the cyclohexane topology files

[David van der Spoel]

Jochen Hub wrote:
> Jinyao Wang wrote:
>> Hi,
>>  I want to carry out cyclohexane simulation with OPLS-AA. However, I am not able to write the cyclohexane topology files. If someone could sent me a cyclohexane OPLS-AA topology I'd very much appreciate it.
> 
> Check the archive, there was a thread on cyclohexane recently.
> 
And by the way: you  *are* able to do it. Read chapter 5 of the manual.


> Best, Jochen
> 
> 
>> 	
>>
>> 　　　　　　　　
>>
>>  				
>>
>> 　　　　　　　　Jinyao Wang
>> 　　　　　　　　wangjy at ciac.jl.cn
>> 　　　　　　　　　　2008-10-08
>>
>>
>> ------------------------------------------------------------------------
>>
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> 
> 


-- 
David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se