#!/bin/bash -l
#SBATCH -J seq2rossetta-a05f2c17
#SBATCH --output "/home/simrnaweb/SimRNAWeb/SIMULATIONS/seq2rossetta-a05f2c17/seq2rossetta-a05f2c17.log"
#SBATCH -N 2
#SBATCH --ntasks=20
#SBATCH --cpus-per-task 1
#SBATCH --time 24:00:00
#SBATCH --partition=SIMRNA
echo "DONE" >> /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq2rossetta-a05f2c17/RESULTS/job_done.txt
python3 /home/simrnaweb/SimRNAWeb/pipeline/RunSimRNA.py --run-name seq2rossetta-a05f2c17 --output RESULTS/ --pdb /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq2rossetta-a05f2c17/inputs/struct.pdb --str-restr-well /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq2rossetta-a05f2c17/inputs/soft_ss.ss --n-runs 2 --replicas 10 --method D --percentage 1 --supimp False --clust-thresh 10.1 --config /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq2rossetta-a05f2c17/inputs/config.dat