#!/bin/sh

echo '************************************************'
echo '*  extracting a defined frame from a dcd file  *'
echo '*  storing it in the pdb and crd formats       *'
echo '*                                              *'
echo '*  to call:  ./getframe  framenumber           *'
echo '************************************************'

        framenum=$1
        numframes=$(($framenum+1))
	charmm < $SL_MOD/charmm/charmm_inp/getframe.inp framenum="$framenum" numframes="$numframes" > getframe.out 
	infile="frame$framenum.pdb";
	echo $infile
