Hi Cody,
Interesting system that you have. In particular, I am curious to see how you charge derivation goes for the dodecyl group in a micelle or bilayer environment.
If you're using an approach in which you derive the phenylalanine and dodecyl separately, the question becomes: what should you constrain each independent group charge to and should you use a cap for each group in your approach.
All the best,
Ben Madej
Walker Molecular Dynamics Lab
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Received on Tue Apr 16 2013 - 12:30:04 PDT
