C. The cnx.bat File

The cnx.bat file is used by QUANTA to execute CNX jobs using the Accelrys version of CNX. The main function of this file is to pass the input and output filenames to CNX and allow CNX to be started from QUANTA. The last line of the file locates the CNX executable. If appropriate, replace the executable with a local location of CNX on your system. The location of cnx.bat is specified in the file $HY_LIB/applcomm.db under the classification CNX.


The cnx.bat file

#!/bin/csh 
echo "cnx.bat started..."
#
# Change the following line if CNX is
#       installed elsewhere

setenv XROOT $QNT_ROOT/cnx

$XROOT/exec/cnx.exe < $1.inv $1.out
echo "cnx.bat finished"

Academic sites may point to an executable for CNX created from a separate Yale distribution of CNX.


© 2006 Accelrys Software Inc.