Brought To You By: The McCammon Research Group
Main Author: Gary Huber
The bug, which was a significant error in computing the torque on Molecule 1, has been fixed. This would not have affected a point-charge substrate, but would have affected anything more complex. I've also included some unit tests to reduce the likelihood of serious bugs slipping past in the future. Goals for this summer include flexible loops, better charge lumping, and effective charges.
I am taking BrownDye offline for now until I run some more tests. I will be individually contacting those who have used BrownDye in publications over the past several years. Thank you for your patience and my apologies for inconveniences suffered. You can contact me at email@example.com. I hope to have this resolved in the next few days.
Last updated: 27 Jun 2015
Fixes and Updates
If you have any problems, suggestions, or ideas, send email to Gary Huber