[gmx-users] Minimisation engine

David van der Spoel spoel at xray.bmc.uu.se
Thu Dec 18 16:31:03 CET 2003

On Thu, 18 Dec 2003, Hua Wong wrote:

>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. 


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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