Bugfixes - Githubissues

shirtsgroup / InterMol

Conversion tool for molecular simulations

MIT License

185 stars 53 forks source link

Closed mrshirts closed 5 years ago

mrshirts commented 5 years ago

Fixes bugs where

Also adds a LAMMPS test for the box vector

mrshirts commented 5 years ago

Added bugfix for OPLS formatted dihedrals.

mrshirts commented 5 years ago

OK, that desmond issue was the problem.

Review if you have a chance, Christoph, otherwise I'll approve in myself in a couple of days.