Eigenstate/dabble

Disulfide bonds don't work with AMBER parameters

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test_relaxin_disulfides_amber in tests/relaxin fails with tleap error message containing some of the following:
Could not find bond parameter for: SH - SH Could not find bond parameter for: SH - SH Could not find bond parameter for: SH - SH Building angle parameters. Could not find angle parameter: CT - SH - SH Could not find angle parameter: SH - SH - CT Could not find angle parameter: CT - SH - SH Could not find angle parameter: SH - SH - CT Could not find angle parameter: CT - SH - SH Could not find angle parameter: SH - SH - CT Building proper torsion parameters. ** No torsion terms for CT-SH-SH-CT ** No torsion terms for CT-SH-SH-CT ** No torsion terms for CT-SH-SH-CT

This is bad because SH is the atom type for sulfur in cysteine, and the disulfided cysteines are being assigned residue type CYM (charged cysteine) instead of CYX (disulfide cysteine). Can you fix this AGAIN??? come on robbo get ur bonded residues in order!!!!

good job u fixed it @Eigenstate