#!/bin/bash
#SBATCH --job-name=[variable-1]
#SBATCH --partition=GPU
#SBATCH --qos=gpu
#SBATCH --gres=gpu:1
#SBATCH --time=7-0
#SBATCH --cpus-per-task=10
#SBATCH --mem=16G
#SBATCH --output=/home/jant.encinar/py-linux/40_docking-YAS-GPU-5-hilos/out-error/[variable-1]_salida-%j.out
#SBATCH --error=/home/jant.encinar/py-linux/40_docking-YAS-GPU-5-hilos/out-error/[variable-1]_error-%j.err


/home/jant.encinar/yasara-25-1-13_GPU/yasara -txt /home/jant.encinar/py-linux/40_docking-YAS-GPU-5-hilos/_dock_runscreening-25.1.13.mcr "MacroTarget='/home/jant.encinar/runDC/[variable-2]/[variable-2]'"
cd /home/jant.encinar/runDC/[variable-2]/
del *.adr

/home/jant.encinar/yasara-25-1-13_GPU/yasara -txt /home/jant.encinar/py-linux/40_docking-YAS-GPU-5-hilos/_dock_runscreening-25.1.13.mcr "MacroTarget='/home/jant.encinar/runDC/[variable-2]/[variable-2]'"
cd /home/jant.encinar/runDC/[variable-2]/
del *.adr

/home/jant.encinar/yasara-25-1-13_GPU/yasara -txt /home/jant.encinar/py-linux/40_docking-YAS-GPU-5-hilos/_dock_runscreening-25.1.13.mcr "MacroTarget='/home/jant.encinar/runDC/[variable-2]/[variable-2]'"
cd /home/jant.encinar/runDC/[variable-2]/
del *.adr

/home/jant.encinar/yasara-25-1-13_GPU/yasara -txt /home/jant.encinar/py-linux/40_docking-YAS-GPU-5-hilos/_dock_runscreening-25.1.13.mcr "MacroTarget='/home/jant.encinar/runDC/[variable-2]/[variable-2]'"
cd /home/jant.encinar/runDC/[variable-2]/
del *.adr

/home/jant.encinar/yasara-25-1-13_GPU/yasara -txt /home/jant.encinar/py-linux/40_docking-YAS-GPU-5-hilos/_dock_runscreening-25.1.13.mcr "MacroTarget='/home/jant.encinar/runDC/[variable-2]/[variable-2]'"
cd /home/jant.encinar/runDC/[variable-2]/
del *.adr