搜索资源列表
NAMD_CVS_Source.tar
- 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
gromacs-4.6.1.tar
- 很普遍的分子动力学模拟软件，目前最新的版的，很好用。-Very common molecular dynamics simulation software, the latest version, is useful.
FORTRAN
- 很实用的Fortran90编写的分子动力学程序，是我自己编写的，大家可以-Very practical molecular dynamics program written in Fortran90, is what I have written, we can see
BCC
- 建立多元bcc结构合金，输出结果是合金位置坐标，可用于MS建模,分子动力学模拟-Establishment of multiple bcc structure of the alloy, the output is the location coordinates of alloys, can be used in MS modeling, molecular dynamics simulation
MPI_OpenMP
- 里面包含MPI以及OpenMP的培训资料和MPI在分子动力学领域应用的资料-Information which contains MPI and OpenMP and MPI training materials in the field of molecular dynamics applications
MY_fortran for extracting of source code
- lammps计算原子/分子均方位移，进行后处理(Post-processing of the calculated MSD by using LAMMPS)
MS-MD脚本
- MS分子动力学计算perl脚本,实现结构优化等功能(materials studio Perl scr ipt for molecular dynamics calculations)