[IMP-users] A couple of naïve questions concerning IMP.Model

[Benjamin SCHWARZ <>]

Sometimes I load particles in a model that won't be used in the restraints (e.g. molecules loaded twice in order to have a reference for RMSD computations between an initial and an optimized state). I am wondering about the incidence of inserting such "non-useful" particles, is there any overhead ?

Also, sometimes the Optimizer appears to need one to provide explicit movements for the particles (RigidBodyMover in the case of Monte Carlo optimizer), and sometimes it appears to know which particles are to be moved (CG). In this latter case, I guess particles that are involved in a Restraint are somehow tagged as such, and the optimizer do not bother with particles that are not tagged as "restraint involved". Am I correct ?

    Thanks 

  --Ben