#!/bin/bash
#SBATCH --job-name=conv[variable-1]
#SBATCH --cpus-per-task=8
#SBATCH --mem=16G
#SBATCH --time=7-0
#SBATCH --qos=long
#SBATCH --output=/home/jant.encinar/runMD/[variable-2]_ok/[variable-2]_salida-%j.out
#SBATCH --error=/home/jant.encinar/runMD/[variable-2]_ok/[variable-2]_error-%j.err

# Configurar las variables de entorno
cd /home/jant.encinar/yasara-26.8.28
export LD_LIBRARY_PATH=/home/jant.encinar/yasara-26.8.28:$LD_LIBRARY_PATH

# Ejecutar yasara
/home/jant.encinar/yasara-26.8.28/yasara -txt /home/jant.encinar/py-linux/34-foldx-array-DRAGON/_00_md_convert-26.8.28.mcr "MacroTarget='/home/jant.encinar/runMD/[variable-2]_ok/[variable-2]'"