[gmx-users] Both Steepest and Conjugate didn't converge

Tim Hohm Tim.Hohm at caesar.de
Thu Feb 9 12:37:53 CET 2006

Dear Prettina,

I had the same problem - using gromacs 3.2. Since 3.2 you have to use the mdp
parameter dflexible instead of dflex_spc. With that and the l-bfgs minimizer
I obtained good results.

Hope it helps


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