[gmx-users] slurm and gromacs

[Atila Petrosian]

Dear gromacs users

I am doing md simulation of protein in a cluster system with
Slurm Workload Manager using following job file:
---------------------------------------------------------------------------
#! /bin/bash
#SBATCH --job-name Pr_lig
#SBATCH -n 28
#SBATCH --time 300:30:00
#SBATCH --mem 50000
#SBATCH --partition gpu

module load gnu8
module load openmpi3
module load gromacs

#gmx grompp -f nvt.mdp -c em2.gro -p topol.top -o nvt.tpr -n index.ndx
#gmx mdrun -v -nb gpu -deffnm nvt >& nvt.job &
gmx energy -f nvt.edr -o temperature.xvg
---------------------------------------------------------------------------
After runing job file, How to select temperature to compute using gmx
energy?

In clusters without Slurm Workload Manager, for gmx energy analysis,
there was a list of parameters to select by user.

Please guide me.

Best,
Atila