[gmx-developers] Multiple time step in gmx 2021

Jagannath Mondal jmondal.backup at gmail.com
Mon Feb 8 05:18:56 CET 2021

Dear Developers

  We see that the gmx-2021 release notes suggest an efficient
multiple-time-step algorithm has been introduced in this version. I found
some information about key-words in the recently published user-manual of
gmx-2021. However, in the documentation part, I could not find any
reference or any discussion of the underlying algorithm of this
multiple-time-step algorithm.

I wanted to check if there is a test-case that has been published on
multiple-time-step algorithms that one can benchmark against.

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