![]() ![]() Some biological studies are interested in large motions of biomolecules. This means that simulations can accurately represent a longer time frame without encountering instability-related errors caused by high-frequency hydrogen motion. Hydrogen mass repartitioning (HMR) is very useful because it allows a larger time step to be used for your simulation by redistributing some of the mass from heavy atoms connected to hydrogen into the bonded hydrogens.
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