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yalefield金虫 (文坛精英)
老汉一枚
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[交流]
【其他】GPU上的分子动力学
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Several molecular dynamics and quantum chemistry software are now available on GPUs. These are listed at: http://www.nvidia.com/object/tesla_bio_workbench.html The software includes AMBER, ABINIT (based on BigDFT), ACEMD, GROMACS, GROMOS, HOOMD, LAMMPS, NAMD, TeraChem, VMD. For docking, the HEX protein-protein docking software is available too. Some of these like ABINIT, GROMOS, and HEX are still not linked from the link above but can be found at: ABINIT http://www.abinit.org/ uses BigDFT http://inac.cea.fr/L_Sim/BigDFT/ GROMOS http://code.google.com/p/gpugromos/ HEX http://www.loria.fr/~ritchied/hex/ http://www.nvidia.com/object/tesla_bio_workbench.html |
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