These cores listed below are currently used by the project.
These cores are not currently used by the project, as they are either retired due to becoming obsolete, or are not yet ready for general release.
Short for Assisted Model Building with Energy Refinement, AMBER is a family of force fields for molecular dynamics, as well as the name for the software package that simulates these force fields. AMBER was originally developed by Peter Kollman at the University of California, San Francisco, and is currently maintained by professors at various universities. The double-precision AMBER core is not currently optimized with SSE nor SSE2,
but AMBER is significantly faster than Tinker cores and adds some functionality which cannot be performed using Gromacs cores.
ProtoMol is an object-oriented, component based, framework for molecular dynamics (MD) simulations. ProtoMol offers high flexibility, easy extendibility and maintenance, and high performance demands, including parallelization. In 2009, the Pande Group was working on a complementary new technique called Normal Mode Langevin Dynamics which had the possibility to greatly speed simulations while maintaining the same accuracy.
These are the second generation GPU cores. Unlike the retired GPU1 cores, these variants are for ATI CAL-enabled 2xxx/3xxx or later series and NVIDIA CUDA-enabled NVIDIA 8xxx or later series GPUs.
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