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locsmith / xcamshift

xcamshift - a port of the camshift chemical shift force-field for xplor-nih
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latest updates to make calculations fast #36

Closed locsmith closed 11 years ago

locsmith commented 11 years ago

typical results with gb3 for a round of calcEnergyAndDerivs on a Intel(R) Core(TM)2 Duo CPU T7500 @ 2.20GHz 17-20ms