Switch settings input to protocol units to creating protocol itself.

[IAlibay]

Fixes #694

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

[pep8speaks]

Hello @IAlibay! Thanks for updating this PR. We checked the lines you've touched for PEP 8 issues, and found:

• In the file openfe/protocols/openmm_md/plain_md_methods.py:

Line 461:80: E501 line too long (86 > 79 characters)

• In the file openfe/protocols/openmm_rfe/equil_rfe_methods.py:

Line 623:80: E501 line too long (101 > 79 characters)

Comment last updated at 2024-02-07 09:30:48 UTC

[codecov]

Codecov Report

All modified and coverable lines are covered by tests ✅

Comparison is base (1bd5e7c) 91.33% compared to head (48b31c4) 91.33%.
Report is 1 commits behind head on main.

Additional details and impacted files

@@           Coverage Diff           @@
##             main     #700   +/-   ##
=======================================
  Coverage   91.33%   91.33%           
=======================================
  Files         132      132           
  Lines        9328     9328           
=======================================
  Hits         8520     8520           
  Misses        808      808           

Flag	Coverage Δ
fast-tests	91.33% <100.00%> (ø)

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