#!/bin/bash

export WORKDIR=`pwd -P`

cd $WORKDIR

#i=`qsub -l walltime=00:30:00                         -vNAMDFILE=namd_min.conf,WORKDIR=$WORKDIR submit_namd_64`
#j=`qsub -l walltime=03:00:00   -W depend=afterok:$i  -vNAMDFILE=ppequil1.conf,WORKDIR=$WORKDIR submit_namd_128.pbs`
#j=`qsub -l walltime=03:00:00     -vNAMDFILE=ppequil1.conf,WORKDIR=$WORKDIR submit_namd_128.pbs`
#k=`qsub -l walltime=06:00:00   -W depend=afterok:$j  -vNAMDFILE=ppequil2.conf,WORKDIR=$WORKDIR submit_namd_128.pbs`
#l=`qsub -l walltime=06:00:00   -W depend=afterok:$k  -vNAMDFILE=ppequil3.conf,WORKDIR=$WORKDIR submit_namd_128.pbs`
#m=`qsub -l walltime=100:00:00  -W depend=afterok:$l  -vNAMDFILE=ppprod1.conf,WORKDIR=$WORKDIR submit_namd_512.pbs`

#n=`qsub -l walltime=100:00:00  -vNAMDFILE=ppprod4.conf,WORKDIR=$WORKDIR submit_namd_256.pbs`
#n=`qsub -l walltime=100:00:00  -vNAMDFILE=namd_prod3.conf,WORKDIR=$WORKDIR submit_namd_512`
#n=`qsub -l walltime=100:00:00  -vNAMDFILE=namd_prod4.conf,WORKDIR=$WORKDIR submit_namd_512`
n=`qsub -l walltime=100:00:00  -vNAMDFILE=ppprod7.conf,WORKDIR=$WORKDIR submit_namd_256.pbs`
#n=`qsub -l walltime=100:00:00  -vNAMDFILE=namd_prod6.conf,WORKDIR=$WORKDIR submit_namd_512`
#n=`qsub -l walltime=100:00:00  -vNAMDFILE=namd_prod7.conf,WORKDIR=$WORKDIR submit_namd_512`
#n=`qsub -l walltime=100:00:00  -vNAMDFILE=namd_prod8.conf,WORKDIR=$WORKDIR submit_namd_512`
#n=`qsub -l walltime=100:00:00  -vNAMDFILE=namd_prod9.conf,WORKDIR=$WORKDIR submit_namd_512`