Comments (2)
Hi Brandon,
This is now fixed, and the fix has been pushed to the release repo. It was a simple misallocation of an array I added very recently to keep track of equivalent atom types.
Thanks, Jay
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Related Issues (20)
- Bug in potential fitting HOT 3
- Atomic Polarizability Calculation HOT 1
- Anisotropic Polarizability HOT 1
- Boiling point and melting point
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- PDBXYZ assigns wrong atom types for N-terminal prolines that are not in the first chain HOT 1
- Potential typo in MM3 silicon equilibrium angle HOT 5
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