高性能计算之CUDA编程的NAMD（用于在大规模并行计算机上快速模拟大分子体系的并行分子动力）原码-The high-performance computing CUDA programming NAMD (used in large-scale parallel computer system for fast simulation of large molecules parallel molecular dynamics) of the original code

分子动力计算程序，各位有志于研究分子动力学算法应用等的兄弟肯定有用。-Molecular dynamic calculation procedures, you interested in the application of molecular dynamics algorithm brothers certainly useful.

material studio 分子动力学自动升温能量+自由体积统计(Material studio molecular dynamics automatic heating energy + free volume statistics)