Just two brief questions.
Is reassigning the Force groups in between integrator->step() calls valid? I'd like to keep them organized but then assign them to separate groups every 2000 steps or so and get their energies one by one and put them back for the next steps.
How would I specify dummy particles bonds and angles (torsions, etc.)? I want to have some extra bonds and angles for added molecules so that I don't have to change the context to make my insertion/deletion moves work. Could I set a value like k = 0.0 or epsilon = 0.0 that makes the system essentially the term? I would then like to setParameters and updateParametersInContext when I modify the system by replacing these dummy terms with the actual terms for the new molecule (or vice versa).
Thanks!