Mar 5th, 2009

#!/bin/tcsh -f
 
#
# Check command line arguments ...
#
if ( $# < 1 || $# > 2 ) then
echo " "
echo "Usage   : plotnamd <log filename> [lines to skip]"
echo " "
exit
endif
 
#
# ... presence of log
#
if (! -es $1 ) then
echo "Missing log file ? Abort."
exit
endif
 
if ( $# == 1 ) then
set skip = "+0"
else
set skip = "+$2"
endif
 
echo "TS vs. TOTAL"
grep -i '^ENERGY:' LOG | tail --lines=$skip | tee /tmp/$$ | awk '{print $2 " " $12}' | plot
 
echo "TS vs. TEMP"
awk '{print $2 " " $13}' /tmp/$$ | plot
 
echo "TS vs. PRESSURE"
awk '{print $2 " " $17}' /tmp/$$ | plot
 
echo "TS vs. ELECT"
awk '{print $2 " " $7}' /tmp/$$ | plot
 
echo "TS vs. VDW"
awk '{print $2 " " $8}' /tmp/$$ | plot
 
echo "TS vs. KINETIC"
awk '{print $2 " " $11}' /tmp/$$ | plot
 
echo "TS vs. BOND"
awk '{print $2 " " $3}' /tmp/$$ | plot
 
echo "TS vs. ANGLE"
awk '{print $2 " " $4}' /tmp/$$ | plot
 
echo "TS vs. DIHED"
awk '{print $2 " " $5}' /tmp/$$ | plot
 
echo "TS vs. IMPRP"
awk '{print $2 " " $6}' /tmp/$$ | plot
 
 
/bin/rm -rf /tmp/$$
 
exit