#!/bin/bash

#SBATCH --partition=gpu

#SBATCH --job-name=install

#SBATCH --ntasks=10 --nodes=1

#SBATCH --mem-per-cpu=6000

#SBATCH --time=24:00:00

#SBATCH --mail-type=ALL

#SBATCH --mail-user=leela.dodda@yale.edu

#SBATCH --gres=gpu:1

module load Apps/NAMD/2.11-multicore-CUDA

namd2 +p10 +idlepoll MINIM_EQUL_HEAT.conf > LOG_MINIM_EQUIL