Closed fgrunewald closed 3 months ago
Bonded parameters look good on testing, but the VS-BB exclusions don't seem to be generated at all?
for generating coordinates the molecule checking fails too, error of two disjointed parts
@csbrasnett I fixed the exclusions. For the structure coordinate generation works though? Can you make a example available to me.
Looks to work now
@csbrasnett the peprint is already out. Are these parameters up to date? Can we merge and release it?
Also can you add the citation to the preprint paper?
@csbrasnett this is a clean PR with all changes we did yesterday. I also fixed the template generation issue. Can you test this branch?
To Do