[gmx-users] Minimisation engine

[David van der Spoel]

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
>

-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assist. 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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