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Known problems
keitaroyam edited this page Jan 3, 2026
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See also issues.
- automatic update of links (see #25)
- Wrong NR5/NR6 atom types that should be NR15/NR16 (7k+ entries)
- chi* torsion names should be used for nonstandard amino acids including MSE
- torsion angle default sigma for sp2_sp2 may be too large (particularly chi5 of ARG)
- need information about deuterium containing monomers that were deleted #6 (monomer aliases?)
- peptide should define C-CA-N-H torsion, but some use different atoms instead of C (e.g. BP5), which will cause distorted H geometry (when linked)
- radical and H related issues, e.g. DKE/RFQ/NO/XX2 (not handled in #50)
- carboranes
- acedrg cannot handle 202 2FK