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md44.tar
- 分子动力学模拟程序，用于材料学方面的科学研究，在此基础上可发展应用到蛋白质等领域的研究-molecular dynamics simulation program for the material aspects of scientific research, on this basis can be applied to the development of protein and other areas of research
BaHF
- 本代码用于BaHF分子动力学的模拟计算，其中文件包里面的byt.inp为数据输入文件，不可丢掉哦-BaHF the code for the molecular dynamics simulation, which package inside byt.inp for data entry documents, not lose!
md1
- 使用FORTRAN90编写的，分子动力学模拟程序，包含了输入文件等等。-MD1 is a FORTRAN90 program which is the first of a series of programs that show a typical molecular dynamics simulation
mc_nvt
- 世界上最经典的分子动力学模拟程序，荷兰人写的-The world' s most classical molecular dynamics simulation program, written in Dutch
artmdsim2.tar
- 本软件是"分子动力学的艺术 模拟”这本书的源代码,由剑桥大学出版-This software is intended to accompany the book `The Art of Molecular Dynamics Simulation , 2nd edition, by D. C. Rapaport, published by Cambridge University Press (2004). The material is being supplied in compu
rxnmd_v1.0
- 化学反应下分子动力学模拟,里面包含详细的英文说明pdf-molecular dynamics simulation
avspure
- 分子动力学模拟计算中记录下粒子的运动速度后的后续处理小程序——速度相关函数的源程序-velocity corelation function
molecular_dynamics_openmd-1.1.4
- 分子动力学模拟软件包，非常珍贵。其中的代码的许多模块都可以实际应用。-Molecular dynamics simulation package, is very precious. Many of the code module can be a practical application.
DYNAMMIC-SIMULATION
- 动力学蒙特卡罗方法模拟分子运动程序，分子间势能为L-J势，以FORTRAN程序写就。-Kinetic Monte Carlo simulation of molecular motion procedures for the LJ potential intermolecular potential, the program written in FORTRAN.
vaspak
- SP是维也纳大学Hafner小组开发的进行电子结构计算和量子力学-分子动力学模拟软件包。本程序用于产生vasp程序用的k点-SP is the University of Vienna Hafner team developed the electronic structure calculations and quantum mechanics- molecular dynamics simulation package. This procedure is used to generate
分子动力学-一个简单的小程序
- 采用伦纳德-琼斯势。r由均匀随机数产生，v，a赋零。边界条件为周期边界条件。采用的算法是速度verlet算法。 模拟的系综是正则系综。