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,登陆 HPC Studio,在顶栏选择 VMD:

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