#!/bin/bash
#SBATCH --job-name=t1r1_min1
#SBATCH --output=%x.o%j
#SBATCH --error=%x.e%j
#SBATCH --nodes=1
#SBATCH --ntasks-per-node=16
#SBATCH --mem=32G
#SBATCH --time=1-00:00:00
#SBATCH --partition=bdw
#
# Edit next line
#SBATCH --account=<account>

module load namd/2.12/bdw

namd2 +p ${SLURM_TASKS_PER_NODE} t1r1_min1.conf > t1r1_min1.log