gmso
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Charmm parameters writer
Port over the old CHARMM/NAMD .prm file writer from mBuild to GMSO. Adding to the savers and allowing for basic charmm style potentials to be written only.
TODOS:
- [x] Check for specified parameter types when writing file
- [x] Add support for urey bradley potential
- [ ] Fix 1-4 scaling in charmm
- [x] Write out all units using unit system
- [ ] Improve iteration over unique type info
- [x] Handle Array of charmm K dihedrals
- [ ] Add test coverage
- [ ] Fix failing tests