From: Peter Freddolino (petefred_at_umich.edu)
Date: Tue May 05 2020 - 19:20:39 CDT
Dear Morgan,
You might want to have a look at
https://www.ncbi.nlm.nih.gov/pubmed/19180249
Best,
Peter
On Tue, May 5, 2020 at 7:23 PM Morgan Packer <packer.mo_at_northeastern.edu>
wrote:
> 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
>
>
>
>
>
>
>
This archive was generated by hypermail 2.1.6 : Fri Dec 31 2021 - 23:17:09 CST