OpenMM: Difference between revisions

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   |contents=
   |contents=
#!/bin/bash
#!/bin/bash
#SBATCH -cpus-per-task --gpus=1
#SBATCH -cpus-per-task=1 --gpus=1
#SBATCH --mem-per-cpu=4000 --time=1:0:0
#SBATCH --mem-per-cpu=4000 --time=1:0:0
# Usage: sbatch $0
# Usage: sbatch $0
cc_staff
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