[gmx-developers] Restraints and external potentials and IMD

[David van der Spoel]

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

http://jenkins.gromacs.org/job/Documentation_Nightly_master/javadoc/doxygen/html-lib/group__module__restraint.xhtml

I wonder how this relates to the code in the applied-forces directory 
which is now based on the IMD module.
http://jenkins.gromacs.org/job/Documentation_Nightly_master/javadoc/doxygen/html-lib/classgmx_1_1IMDModule.xhtml

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?

Cheers,
-- 
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.
http://www.icm.uu.se