#!/bin/tcsh

if ( $# != 2 ) then
  echo "This script requires two arguments:"
  echo "  NAMD input file"
  echo "  NAMD log file"
  exit -1
endif

setenv CONFFILE $1
setenv LOGFILE $2

if ( ! -f $CONFFILE) then
  echo "NAMD input file $CONFFILE does not exist!"
  exit -1
endif

if ( -f $LOGFILE) then
  echo "NAMD input file $LOGFILE already exists!"
  exit -1
endif

echo "Starting NAMD..."
echo ""

/work2/tbss/jcphill/bin/`uname -s`/namd2 $CONFFILE >& $LOGFILE && \
echo "NAMD job completed!  Output written to $LOGFILE" || \
echo "NAMD job failed!  Output written to $LOGFILE" &

echo ""
echo "NAMD is running in the background, to monitor progress use this command:"
echo ""
echo "    tail -f $LOGFILE"
echo ""
echo "You will need to press Control-C to exit the tail command."
echo ""