first pass at a mini mvp

[mikemhenry]

Developers certificate of origin

• [x] I certify that this contribution is covered by the MIT License here and the Developer Certificate of Origin at https://developercertificate.org/.

[mikemhenry]

:tada: we got docs https://openpharmmdflow--29.org.readthedocs.build/en/29/

[mikemhenry]

unit tests to add:

• [ ] read in one file thats xyz, one that is frac cords, assert same
• [ ] read in cif file and check if it matches reference

integration tests to add:

• [ ] make sure we can run a sim of a few steps with a cif file we read in