[gmx-users] some problems by freshman?

David spoel at xray.bmc.uu.se
Thu Aug 15 18:45:29 CEST 2002


On Thu, 2002-08-15 at 17:15, zpxu wrote:

You have to be a bit more specific. How do you treat the ends of the
tube? Or is it supposed to be infinite?

What happens in the minimization? Did you check energy components?

-- 
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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