[gmx-users] Variable force constant in umbrella sampling

Kortzak, Daniel d.kortzak at fz-juelich.de
Fri Feb 13 04:58:22 CET 2015


Dear gromacs users,

I have again some question regarding umbrella sampling. Is it ok to use different force constants in the different umbrella runs? So far I only read papers where they keep it constant but for me it could be useful to vary this along the reactioncoordinate.

Best,
Daniel


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