exercises:2015_cecam_tutorial:forcefields
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This example uses VMD to set up a classical forcefield simulation in CP2K. You can download VMD from here, but it may well already be installed on a machine you can access.
When VMD is running you can download a protein structure using the “extensions → data → PDB database query” dropdown menus of the main VMD window. This allows a PDB structure file to be downloaded (assumes that you have an internet connection on the machine running VMD). You should get a window like
exercises/2015_cecam_tutorial/forcefields.1441141535.txt.gz · Last modified: 2020/08/21 10:14 (external edit)