GitLab

* Implementation of OPLS through DMS reader

* Improved Implementation of OPLS through DMS reader

* raise errors for invalid implicit solvent settings

- Test system is translated to the origin
- Energy is computed again after updating Gromacs input to reflect no-cutoff option (rcoulomb = rlist = rvdw = 0.0)

Changed format to 'pdbx' for consistency within the test framework. Added 'cif' to CMakeLists.txt for correctness for the future

I’m not sure how to trigger the unit testing suite, but this code
should test the changes I’ve made.

factors.

Fix alanine dipeptide example by including CRYST record in explicit; add .inpcrd files for explicit and implicit.