openforcefield/openff-toolkit

Update FAQ

mattwthompson opened this issue · 0 comments

I read through the FAQ and am tagging some sections as slightly or significantly out of date. I don't have the time to work on these now, so I'm noting them for future changes.

  • "Can I use an AMBER (or GROMACS) topology/coordinate file as a starting point for applying a SMIRNOFF force field?"
    • This is no longer entirely impossible
  • "What about starting from a PDB file?"
    • Missing discussion of recent capabilities of loading some PDB files
    • Possibly reading ligands from (some) PDB files would be enabled by #1828
  • Add section on confusing UX of #1741
  • Add section on "Can I use an Amber force field with SMIRNOFF?"