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set output name
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@mariojmdavid
mariojmdavid committed Jan 20, 2024
1 parent e29e4d1 commit 47360ad
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2 changes: 2 additions & 0 deletions udocker-files/prep-gromacs.sh
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#SBATCH --job-name=prep_gromacs
#SBATCH --ntasks=1
#SBATCH --partition=hpc
#SBATCH --output=gromacs-prep-%j.out
#SBATCH --error=gromacs-prep-%j.err

export TUT_DIR=$HOME/udocker-tutorial
export PATH=$HOME/udocker-1.3.10/udocker:$PATH
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