#!/bin/bash

#System Specific
sys="80K"

#Directories
bin="/gpfs/group/wgn1/default/pkg/gromacs-4.5.3-dp/bin"
cg_dir="../../../../AA_to_CG_mapping/NPT/80K/75pc"

#Executables
grompp="${bin}/grompp-dp"
mdrun="${bin}/mdrun-dp"

#Files
cg_tpr="${cg_dir}/trjconv.tpr"
cg_trr="${cg_dir}/trjconv.trr"

${mdrun} -rerun ${cg_trr} -s ${cg_tpr} -o cg_rerun.trr -c cg_rerun.confout.gro -e cg_rerun.edr -g mdrun-cg_rerun.log -nt 1
