Translations:AMBER/4/en

The following example is a sander serial job script. The input files are in.md, crd.md.23, prmtop.

File : amber_serial.sh

#!/bin/bash
 #SBATCH --ntasks=1             # 1 cpu, serial job
 #SBATCH --mem-per-cpu=2G       # memory per cpu
 #SBATCH --time=00-01:00        # time (DD-HH:MM)
 #SBATCH --output=cytosine.log  # .log file from scheduler
 module load StdEnv/2016.4
 module load amber/16
 sander -O  -i in.md  -c crd.md.23  -o cytosine.out