VMD¶

简介¶

Visual Molecular Dynamics is a molecular modelling and visualization computer program. VMD is developed as mainly a tool to view and analyze the results of molecular dynamics simulations. It also includes tools for working with volumetric data, sequence data, and arbitrary graphics objects.

π 集群上的 VMD¶

集群中已预置了编译优化的容器镜像，通过调用该镜像即可运行 VMD，无需单独安装，目前版本为 vmd-1.9.3。该容器文件位于 /lustre/share/img/vmd-1.9.3.simg

使用 HPC Studio 启动可视化界面¶

参照可视化平台，登录 HPC Studio，在顶栏选择 VMD：

参考资料¶

• VMD

• Singularity文档