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                                            Andreas Orthey

Automatic discrtimestep?

Hi guys, is there any progress on this issue? I ran into a similar problem, where i can find a solution for discrtimestep=0.01, no solution for discrtimestep=0.02 and again a...

Automatic discrtimestep?

I just tested with timesteps 1e-3 and 1e-4, both reported failure. It is a little difficult to give a complete minimal example since i am sampling dynamics at each point,...

I prepared a small script where i just dumped the ABC vectors + trajectorystring for the three cases i mentioned: https://raw.githubusercontent.com/orthez/openrave-forcefields/master/test_topp_standalone.py Hope that helps.