Translations:AMBER/39/en
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- !/bin/bash
#SBATCH --cpus-per-task=1 --gpus-per-node=1 --mem-per-cpu=2000 --time=10:0:0 module purge module load StdEnv/2020 gcc/9.3.0 cuda/11.4 openmpi/4.0.3 amber/20.12-20.15 pmemd.cuda -O -i input.in -p topol.parm7 -c coord.rst7 -o output.mdout -r restart.rst7