[gmx-users] nanotube!

[David van der Spoel]

On Mon, 2005-11-07 at 13:18 +0800, zjh2140 at 163.com wrote:
> David,
> 
>   Thank you for your answer!I have resolve that question with your
> help,but i meet a new question,when i implement energy minimization,my
> system don't convergence,the potential energy and max force are very
> big,and during the minization stage,the poetential energy and max
> force  hardly change,i don't know i need to modify which parameters,
> do you give me some suggestions? 

Which energy term?
Maybe you need to increase the number of exclusions.
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> thank you in advance!
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> zhoujh
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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