10 Nov
2015
10 Nov
'15
2:25 a.m.
Dear all,
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: monitoring the energies at each MC step shows always the same energy. I wanted to know if it's actually possible to use the function IMP.core.MonteCarloWithLocalOptimization() with rigid bodies?
Thank you in advance for your help,
Karine