#!/bin/bash
#SBATCH --job-name=dc0001
#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/dc0001_salida-%j.out
#SBATCH --error=/home/jant.encinar/py-linux/40_docking-YAS-GPU-5-hilos/out-error/dc0001_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/D0001-MP7-noQ-0001/D0001-MP7-noQ-0001'"
cd /home/jant.encinar/runDC/D0001-MP7-noQ-0001/
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/D0002-MP7-noQ-0002/D0002-MP7-noQ-0002'"
cd /home/jant.encinar/runDC/D0002-MP7-noQ-0002/
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/D0003-MP7-noQ-0003/D0003-MP7-noQ-0003'"
cd /home/jant.encinar/runDC/D0003-MP7-noQ-0003/
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/D0004-MP7-noQ-0004/D0004-MP7-noQ-0004'"
cd /home/jant.encinar/runDC/D0004-MP7-noQ-0004/
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/D0005-MP7-noQ-0005/D0005-MP7-noQ-0005'"
cd /home/jant.encinar/runDC/D0005-MP7-noQ-0005/
del *.adr