job-13.0

#!/bin/bash
#$ -S /bin/bash
#$ -cwd
#$ -M michelle.liu@berkeley.edu
#$ -m e
#$ -j y
#$ -N all_coarse_13.0
#$ -o log/$JOB_NAME.log
#$ -pe threaded 1

######### 13.0 AA coarse-grained wall #########
suffix=coarse-13.0
num_particles=432
sep=13.0
oid=1

skip=0
total_time=1000000
meas_time=100000
inp_file=../coarse_13.0/coarse_13.0.m160143.out
dump_step=20
./bin/dipole -s $skip -t $total_time -m $meas_time -d $sep -e $suffix -w $num_particles -r $dump_step $inp_file

skip=0
total_time=100000
meas_time=1000
inp_file=../coarse_13.0/coarse_13.0.t161736-20fs.traj
dump_step=20
./bin/correlation -s $skip -t $total_time -m $meas_time -d $sep -e $suffix -w $num_particles -o $oid -r $dump_step $inp_file

skip=0
total_time=10000
meas_time=1000
inp_file=../coarse_13.0/coarse_13.0.t160143-0.5fs.traj
dump_step=0.5
#./bin/hbonds -s $skip -t $total_time -m $meas_time -d $sep -e $suffix -w $num_particles -o $oid -r $dump_step -C $inp_file