#!/bin/csh
#PBS -l size=16
#PBS -l walltime=30:00
#PBS -o charmm.out
#PBS -j oe
#PBS -q debug

set echo

cd $HOME/charmm

set num=16

set exe=/usr/local/packages/CHARMM-c32b1/charmm

set inp=./pme_p21a.inp
set out=./pme_p21.${num}_xt3


pbsyod ${exe} < ${inp} > ${out}