GROMACS: Difference between revisions
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= General = | = General = | ||
= | = Using GROMACS on ARC = | ||
Researchers using GROMACS on ARC are expected to be generally familiar with its capabilities, | |||
input file types and their formats and the use of checkpoint files to restart symulations. | |||
Like other calculations on ARC systems, GROMACS is run by submitting an appropriate script for batch scheduling using the sbatch command. | |||
For more information about submitting jobs, see [[Running jobs]] article. | |||
Revision as of 21:45, 19 May 2020
General
Using GROMACS on ARC
Researchers using GROMACS on ARC are expected to be generally familiar with its capabilities, input file types and their formats and the use of checkpoint files to restart symulations.
Like other calculations on ARC systems, GROMACS is run by submitting an appropriate script for batch scheduling using the sbatch command. For more information about submitting jobs, see Running jobs article.