Mea culpa! I had forgotten about the work I had been doing in those
programs to test against the Langevin integrators, and in my attempt to
merge mdgx-dev back into the master I got turned around and did that
commit -a. I am restoring sff and its p450 test case.
Dave
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Received on Thu Mar 14 2013 - 19:00:04 PDT
