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→Parallel MMPBSA job
| Line 125: | Line 125: | ||
|contents= | |contents= | ||
#!/bin/bash | #!/bin/bash | ||
#SBATCH --ntasks= | #SBATCH --ntasks=32 | ||
#SBATCH --mem-per-cpu=4000 | #SBATCH --mem-per-cpu=4000 | ||
#SBATCH --time=1:00:00 | #SBATCH --time=1:00:00 | ||