BrownDye

Brownian Dynamics of Biological Molecules


Brought To You By: The McCammon Research Group

Main Author: Gary Huber

Serious Bug Fixed

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.

Serious Bug Discovered

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 gahuber95@gmail.com. I hope to have this resolved in the next few days.

Last updated: 27 Jun 2015

Documentation

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Fixes and Updates

If you have any problems, suggestions, or ideas, send email to Gary Huber