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update run gromacs
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@mariojmdavid
mariojmdavid committed Jan 22, 2024
1 parent f96bdbc commit 542865e
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2 changes: 1 addition & 1 deletion udocker-files/run-gromacs.sh
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Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
#!/bin/bash
#SBATCH --job-name=run_gromacs
#SBATCH --ntasks=8
#SBATCH --ntasks=64
#SBATCH --partition=hpc
#SBATCH --output=gromacs-%j.out
#SBATCH --error=gromacs-%j.err
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