Langevin dynamics and random seeds

From: Morgan Packer (
Date: Tue May 05 2020 - 17:30:54 CDT

Hello everyone!

I have been performing 90 nanosecond simulations that use a newly generated random number seed every nanosecond or half nanosecond rather than continuing from a common random seed. I am performing molecular dynamics simulations on protein complexes using LANGEVIN dynamics. Due to the langevin dynamics would using the same seed in each nanosecond configuration file even have an effect, or would LANGEVIN re-randomize the velocities with each new simulation step (50,000 timestep 1 nanosecond config file) anyways?

Thanks for your help!

--Morgan R Packer, Chemistry PhD Candidate
Department of Chemistry & Chemical Biology
Northeastern Univeristy
Boston, MA

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