Hi everyone,
The bug is reported here: https://github.com/choderalab/openmm/issues/12
An example of the issue are lines 64 and 121:
CA-N2 449 1.349 same as ca-nh
N2-CA 449 1.363 same as ca-nh
umm.... ? Where did this file come from? It's clearly not right.
Thanks,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Mon Feb 29 2016 - 19:30:03 PST