[gmx-developers] Restraints and external potentials and IMD

David van der Spoel spoel at xray.bmc.uu.se
Thu Jan 31 11:00:53 CET 2019

I was browsing the API documentation and stumbled over the
"MD restraints":


I wonder how this relates to the code in the applied-forces directory 
which is now based on the IMD module.

As I envisioned the applied-forces code, this could be a blue-print for 
all external forces, including restraints, refinement etc.

I might be wrong but it seems there is parallel development of very 
similar code going on, or am I wrong?

David van der Spoel, Ph.D., Professor of Biology
Head of Department, Cell & Molecular Biology, Uppsala University.
Box 596, SE-75124 Uppsala, Sweden. Phone: +46184714205.

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