#!/bin/bash
#SBATCH --nodes=1
#SBATCH --ntasks=1
#SBATCH --cpus-per-task=1
#SBATCH --time=168:0:0
export OMP_NUM_THREADS=1
cd $PWD
$GROMACS_COMMAND -mt urea -mp water -ct 0 -ft 30.0 -fp 70.0 -buffer 0.0 -cat none -gen false -Nump 100 -prod nve -nprod 10000 -nequil 100000 -dt 1.0 -ctype  bcc