[gmx-developers] LINCS + L-BFGS

[David van der Spoel]

Is this combination supposed to work?

It does not for me, independent of lincs-order (8, 12, 100) the bond 
lengths vary randomly during a minimization.

-- 
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se