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get rid of jit_compile=False for debugging
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yihengwuKP committed May 28, 2024
1 parent bc9c4c4 commit ec7adef
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion examples/openmm/cv_ermsd/ermsd_cg/unbiased.py
Original file line number Diff line number Diff line change
Expand Up @@ -94,7 +94,7 @@ def main():
ERMSD(C246_indices_ordered, reference, cutoff=3.2),
]

method = Unbiased(cvs, jit_compile=False)
method = Unbiased(cvs)
callback = HistogramLogger(1)

raw_result = pysages.run(method, generate_simulation, nsteps, callback)
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