pandegroup/openmm — pull request #678 by peastman (2014-10-27 22:58:54+00:00)
Title: Reduced share memory for CustomGBForce

Here are my latest benchmarks:

OBC2: 314
OBC1: 280
GBn: 220

So the cost of using CustomGBForce is now down to only about 10%. GBn is about 30% slower than the handwritten OBC, or 20% slower than the CustomGBForce version. And twice as fast as it was before I started on optimizations!