[IMP-users] Conjugate Gradient optimizer with rigid bodies
To: "" <>
Subject: [IMP-users] Conjugate Gradient optimizer with rigid bodies
From: Karine VOLTZ <>
Date: Tue, 10 Nov 2015 10:25:26 +0000
Accept-language: fr-FR, en-US
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