Optimization tool for calibrating coarse-grained force fields of lipids, relying on the simultaneous usage of reference AA trajectories (bottom-up) and experimental data (top-down)
I followed the suggested steps to submit the example, but ran into such a problem on the 17th iteration, which did not occur in the previous 16 iterations. Can you tell me the possible cause and solution?
16th iteration out of 50 completed. [######### ]
Traceback (most recent call last):
File "optimize_lipids.py", line 1214, in
if param.startswith('B') and ns.tune_geoms:
AttributeError: 'Namespace' object has no attribute 'tune_geoms'