[gmx-users] Minimisation engine

[Hua Wong]

On Thu, 18 Dec 2003, David van der Spoel wrote:

> On Thu, 18 Dec 2003, Hua Wong wrote:
> 
> >Hello,
> >I would like to know the differences between GROMACS CG engine and NAMD's ?
> >Because NAMD can minimise far much better big proteins that would take a
> >hell of a time to minimize with CG under GROMACS.
> >
> 
> try the beta version, the minimizers are greatly improved. 
> 
> >Thanks
> >
> 
> 

I will give a try with the beta.

But I still don't know the difference between the two minimisation engine. 
They are both about conjugate gradient after all? Why does one software 
minimise, while one can make a run 'till domesday.....

I apologise in advance if it is a stupid question, but I am a real dork in 
math and physic...

Thanks

-- 
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| Wong Hua (Student)                                       |
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Best wishes for year 2004