Re: [IMP-users] Conjugate Gradient optimizer with rigid bodies

On 11/10/15 2:25 AM, Karine VOLTZ wrote: > I have a system consisting of several sub-units all represented as > rigid bodies (even sub-units containing only one domain). I have > tried a MC sampling with a simple set of restraints on the system and > it's working fine. Now I would like to use the > IMP.core.MonteCarloWithLocalOptimization() using a CG optimizer but > it does not seem to work

The ConjugateGradients optimizer (which is what the local optimization uses) does not support rigid bodies and so won't move them; see the note at http://integrativemodeling.org/nightly/doc/ref/classIMP_1_1core_1_1Conjugate...

Ben