Hello,
I haven't heard about this in quite some time (and the wiki still says
"we're working on it"), so I thought I'd ask about any updates. Do we have
a timeline yet or are we still trying to figure out how to work it?
Also, if testers are needed, I have some very localized changes that I can
try out (MMPBSA.py, so it won't affect anything outside of the
amber/src/mmpbsa_py directory and its corresponding test directory) with no
risk to the rest of the tree. I'm also sitting on Yilin's constant pH REMD
code/hamiltonian REMD code (that works and passes all tests) that I could
try to push in, also.
Just let me know if I should sit on these a while longer or if you'd like me
to do anything with either update. I can also send patches if that's
desired.
Thanks!
Jason
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Fri May 21 2010 - 12:00:07 PDT
