[MMTK] LangevinIntegrator

Hye won Kang hkang at math.wisc.edu
Mon Dec 19 08:03:20 CET 2005


I have a question about LangevinDynamics. I ran example.py with different
files(pdb, proteins), but almost everytime I got p_enery-nan and
k_energy-nan except for the first k_energy. ( I also tried with very low
temperature like 80K) Is there some way to calculate well?
Thank you.

Hye Won

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