#! /bin/tcsh
#SBATCH --job-name="xplor refine"

cd $SLURM_SUBMIT_DIR
/data/PNAI/yuba/software/xplor-nih-3.1/bin/xplor -py -smp 10 -num_threads 2 refine.py -inputfiles rna_ini-allatom.pdb rna_cg.pdb  input.bpl -o out.log 
#sbatch --cpus-per-task=10 --threads-per-core=2 --mem=10g --time=1-00:00:00 --partition=ccr qsub1.sh
