[gmx-users] polmer

David spoel at xray.bmc.uu.se
Sun Aug 18 14:28:36 CEST 2002


On Sun, 2002-08-18 at 14:04, mojtaba alaei wrote:
> 
> Dear Dr.spoel
> I wrote:
> >If you do not have an infinite molecule it is usually fine, as long as
> >your molecule is shorter than 3 box lengths, otherwise the same env.
> >var. has to be set. What do you mean?Can gromacs do it?
> 
> and you wrote:
> >yes
> 
> How can I do it?Which program sould I use?
you should generate the toplogy somehow. For simple systems you can try
x2top, otherwise write a program yourself to generate it. The topology
is described in the manual.

You haven't said what kind of system you want to study.
> 
> Sincerely yours
> 
> Mojtaba
> 
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel
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