MT-REXEE development

[wehs7661]

Merge PR-57 into the master branch to incorporate final tweaks and updates based on the original Anika's pull request (#57). Here is a checklist for the PR to be merged:

• Enough unit tests to achieve a 95% code coverage (by PR Unit tests for MT-REXEE functionalities #59).
• No lining errors.
• No errors from CircleCI.
• Address issue Simplify and tweak the functionalities for MT-REXEE #60.

[codecov]

Codecov Report

Attention: Patch coverage is 97.45127% with 17 lines in your changes missing coverage. Please review.

Project coverage is 96.00%. Comparing base (9958558) to head (98af948).
Report is 77 commits behind head on master.

Files with missing lines	Patch %	Lines
ensemble_md/utils/coordinate_swap.py	97.87%	11 Missing ⚠️
ensemble_md/replica_exchange_EE.py	96.90%	3 Missing ⚠️
ensemble_md/utils/gmx_parser.py	94.33%	3 Missing ⚠️

Additional details and impacted files

@@            Coverage Diff             @@
##           master      #58      +/-   ##
==========================================
+ Coverage   95.51%   96.00%   +0.48%     
==========================================
  Files          10       11       +1     
  Lines        1919     2576     +657     
==========================================
+ Hits         1833     2473     +640     
- Misses         86      103      +17     

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