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Release Name: Release 2

Release Notes

Software: TINKER 6.3.3 built with Intel compilers version, OpenMP enabled OpenMM 6.1 built with CUDA 6.5 Hardware: CPU: 2x Intel(R) Xeon(R) CPU E5-2643 @ 3.30GHz GPU: GeForce GTX TITAN Black Systems: Water boxes with various molecule counts (216, 512, 1600, 4000, 32000, 96000, 288000) JAC DHFR benchmark system (23558 atoms) Methods: Fixed charge force field AMOEBA direct polarization AMOEBA mutual polarization with convergence tolerance 1e-2 through 1e-6 (Recommend 1e-5 for production simulations) Platforms: OpenMM mixed precision OpenMM double precision TINKER 8 cores TINKER 1 core