This should work just like a non-multi simulation *(from redmine: issue id 1989, created on 2016-06-12 by mark.j.abraham, closed on 2016-06-22)* * Relations: * relates #1117 * relates #2029 * Changesets: * Revision 5833198845cd99accfa204cf5725233dbed3ef5b by Mark Abraham on 2016-06-17T07:08:16Z: ``` Fix multi-sim + DD + simple distance restraints The check should not look for the existence of a multi-sim, because the user must also set GMX_DISRE_ENSEMBLE_SIZE in order to get ensemble restraints. Fixes #1989 Change-Id: Id8c9aeefb17583a6ef9ef5caf46232bc384f2ecd ``` * Revision c1364cf4e4b14d3726ed7bcb7caa5c17affbecf7 by Berk Hess on 2016-09-16T08:04:42Z: ``` Made distance restraints work with threads and DD The NMR distance restraints use several buffers for summing distances that were indexed based on the index of the thread+domain local ilist force atoms. This gives incorrect results with OpenMP and/or domain decomposition. Using the type index for the restraint and a domain- local, but not thread-local index for the pair resolves these issues. The are now only two limitations left: * Time-averaged restraint don't work with DD. * Multiple copies of molecules in the same system without ensemble averaging does not work with DD. Fixes #1117. Fixes #1989. Fixes #2029. Change-Id: Ic51230aa19a4640caca29a7d7ff471e30a3d9f09 ```