The code below will install the CUDA toolkit from NVIDIA for Ubuntu 20.04. Right click in vmd folder in WinSCP and choose new > file. VMD users can customize the GUI through simple commands. In order to download VMD, there will be a brief registration window. Popup menus, sticky forms, and Hot keys make the interface modern and more useful to end users.

If you use the version directly from Ubuntu, you will need to modify the configure script accordingly. current alpha is LINUX64 OpenGL, CUDA, OptiX RTX, OSPRay. Thus, the rest of this tutorial will assume that you got CUDA directly from NVIDIA. The version installed from the Ubuntu repositories is currently CUDA 10, which does not have support for the latest and greatest graphics cards. One note that will be important here, is that you may already have a CUDA toolkit installed.ĬUDA toolkits installed by NVIDIA will install CUDA to /usr/local/cuda, whereas the Ubuntu version will install CUDA to /usr. You have two choices, using either the stock CUDA available from the Ubuntu repositories, or a more up to date version that comes from NVIDIA repositories.

To build VMD with CUDA, you will need a CUDA toolkit.

Sudo apt install libtachyon-mt-0-dev python3.10-dev tcl8.6-dev tk8.6-dev libnetcdf-dev libpng-dev python3-numpy python3-tk mesa-common-dev libglu1-mesa-dev libxinerama-dev libfltk1.3-dev coreutils sed #VMD required headers and libraries. Open a terminal and cd to the folder where you have the package (i guess the folder where you cloned from the AUR) then you execute: sha256sum vmd-1.9. VMD is a molecular visualization program for displaying, animating, and analyzing large biomolecular systems using 3-D graphics and built-in scripting. Sudo apt install devscripts debhelper #Package building and general compilation I guess the checksum of the vmd-1.9.tar.gz has changed.

Vmd linux commands