wrappers/python/tests/TestCharmmFiles.py · 250e8699c5eebce5e3dea1f1bffd0042d2a1f82d · tsoc / openmm · GitLab

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Make CharmmPsfFile ignore H-H water bond that is required for rigid water with... · 250e8699
YevChern authored Apr 18, 2020
```
Make CharmmPsfFile ignore H-H water bond that is required for rigid water with original CHARMM implementation of constrains.
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250e8699

TestCharmmFiles.py 27.3 KB