[gmx-users] l-bfgs

David van der Spoel spoel at xray.bmc.uu.se
Thu Oct 28 13:21:19 CEST 2004


On Thu, 2004-10-28 at 12:54, Markus O Kaukonen wrote:
> Dear All,
> 
> Can one use constraints with l-bfgs minimisation?
> Could not find this in manual or FAQ.
I don't think so.

> 
> Terveisin Markus
-- 
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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