Closed bannanc closed 7 years ago
I know this isn't passing tests, I have it fixed now I think, I'll push the new changes in a minute
I unpinned the conda-build version, which helped. Looks like now I need to update the encrypted OpenEye license as the one which was used (Chodera lab version I believe) has expired.
Tests pass. Off to the races.
@davidlmobley and @camizanette
Here is the update to SMIRKY I'm using to run the new simulations. I realized I had some changes in my branch from before I left for the summer that I hadn't pushed. None of these were major.
Here is a list of changes in this pull request:
The-SMIRFF-force-field-format.md
(addressed in issue #255 )