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• 20:11, 20 October 2022 James talk contribs created page NAMD (Created page with "The main server for Molecular Dynamics Calculations is PENZIAS which supports both GPU and non GPU versions of NAMD. However the MPI only (no GPU support) parallel versions of NAMD are also installed on SALK and ANDY. In order to use the code please always load the NAMD module first. The following line will load application environment for NAMD on PENZIAS. GPU is not requested in below SLURM script. <pre> module load namd </pre> A batch submit script for NAMD th...")