Dear Users

I m using a linux red har (f77) wish csh shell. currently I got my out put data from GAMESS-US program and I m trying to extract data from my output using the script below but when I m runinng the csh ./Run.csh I ve got this error; Illegal variable name.
but when I run the program under Root , I hv this error;
: Command not found.
: Command not found.
: Command not found.
: Command not found.
ERROR:- not enough arguments given.
USAGE:- Run.resp t80_2.dat 0
exit: Expression Syntax.
Could you please kindly help me to fix the problem. As I understood from this tread my script is in bash and I need to change it to csh. Can anybody help me how, I m very new in programming. So frustrating!...

my Run.csh is look like this;
#!/bin/csh -f



# THIS SCRIPT EXTRACTS ALL THE NECESSARY INFORMATION FROM A GAMESS *.DAT FILE,

# AND GENERATES THE NECESSARY INPUT FILES NEEDED TO RUN RESP

#



# ########################################### #

# USAGE: Run.resp dat_filename total_charge #

# ########################################### #



if ($#argv < 2) then

echo "ERROR:- not enough arguments given."

echo "USAGE:- Run.resp dat_filename total_charge"

exit(1)

endif

set title = TITLE

set gamess_datfile = $argv[1]

set charge = $argv[2]





# ################################################## ####### #

# EXTRACT COORDINATES, ESP AND NATOMS FROM GAMESS DATA FILE #

# ################################################## ####### #

cat << eof > awk.in

{

l[NR] = \$0

if (\$1 == "ELECTRIC") {s_pot = NR+1}

if (\$2 == "START") {f_pot = NR-1; startline = NR}

if (\$1 == "NATOMS=") {natoms = \$2; print natoms}

if (\$3 == "NKINDS=") {nkinds = \$4}

if (startline > 0) {

first = startline; first += 3; first += nkinds

last = first; last += natoms; last -= 1

if ((NR >= first) && (NR <= last)) print \$0

}

}

END {npot = f_pot - s_pot + 1; print npot

for (i=s_pot; i<=f_pot; i++) print l[i]}

eof

awk.in -f awk.in t80_2.dat > gamess_temp





# ############### #

# RESP INPUT FILE #

# ############### #

cat << eof > resp.in

$title

&cntrl nmol=1, ihfree=1

&end

1.0

$title

eof



cat << eof > awk.in

{

if (NR <= 1) {printf "%5d%5d\n", $charge, \$1}

}

eof

awk.in -f awk.in gamess_temp >> resp.in



cat << eof > awk.in

{

if (\$1 == "H") {printf "%5d%5d\n",1,0}

if (\$1 == "C") {printf "%5d%5d\n",6,0}

if (\$1 == "N") {printf "%5d%5d\n",7,0}

if (\$1 == "O") {printf "%5d%5d\n",8,0}

if (\$1 == "F") {printf "%5d%5d\n",9,0}

if (\$1 == "P") {printf "%5d%5d\n",15,0}

if (\$1 == "S") {printf "%5d%5d\n",16,0}

}

END {printf "\n\n\n\n"}

eof

awk.in -f awk.in gamess_temp >> resp.in





# ############## #

# ESP INPUT FILE #

# ############## #

cat << eof > awk.in

{

if (NR <= 1) natoms = \$1

if (NR == natoms+2) nesp = \$1

}

END {printf "%5d%5d%5d\n", natoms, nesp,0}

eof

awk.in -f awk.in gamess_temp > esp.in



cat << eof > awk.in

{

if (NR <= 1) natoms = \$1

if ((NR > 1) && (NR <= natoms+1)) {

\$2 *= 1.88972666

\$3 *= 1.88972666

\$4 *= 1.88972666

printf " %16.7E%16.7E%16.7E\n",\$2,\$3,\$4}

}

eof

awk.in -f awk.in gamess_temp >> esp.in



cat << eof > awk.in

{

if (NR <= 1) natoms = \$1

if (NR == natoms+2) nesp = \$1

if (NR > natoms+2) printf "%16.7E%16.7E%16.7E%16.7E\n", \$5,\$2,\$3,\$4

}

eof

awk.in -f awk.in gamess_temp >> esp.in





# ######## #

# RUN RESP #

# ######## #

/usr/local/amber8/src/resp -O \

-i resp.in \

-o resp.out \

-p resp.dat \

-e esp.in