#!/bin/bash
#SBATCH -A research
#SBATCH --qos=medium
#SBATCH -n 20
#SBATHC --gres=gpu:2
#SBATCH --mem-per-cpu=4096
#SBATCH --time=4-00:00:00
#SBATCH --output=op_file_remaining.txt

module add namd/2.13

namd2 50_eq.inp > 50_eq.out