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Published 20 hours ago • verified publisher icon craabreu
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Unified Free Energy Dynamics (UFED) simulations with OpenMM

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Improves velocity handling in contexts and states

## Description When setting velocities from temperature, remove the COM component from the physical velocities and set vy=vz=0 for extra particles. Optionally split velocities (like done for positions) when rettrieving...

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verified publisher icon craabreu

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Unified Free Energy Dynamics (UFED) simulations with OpenMM

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