[gmx-developers] LINCS + L-BFGS
David van der Spoel
spoel at xray.bmc.uu.se
Sun Nov 25 22:08:18 CET 2012
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
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