Hi, i have the below code that will compare the value from 2 variables:
The variables are $1 and $w where $1 is the input string e.g. JMS.sh VAR1, so basically, if $1 is equal to $w then i dont have problem but if its not equal then ill have an output as below:
"JMS.sh[4]: test: 0403-004 Specify a parameter with this command.
-1"
i expected to have an output of "-1" only.
I suspect that its due to the command line:
where $1 cannot find a match from out.dat then it threw some error.
Please advice how to go with this. I only want to have an output "-1" if $1 is NOT equal to $w.
Hi
I am running a script (which compares two directory contents) for which I am getting an output of 70 pages in which few pages are blank so I was able to delete those blank lines.
But I also want to delete the headers present for each page. can any one help me by providing the code... (1 Reply)
Hi , I have written a csh script which is as follows but it keeps outputing a unneccesary output as show below. How can i remove that output and prevent it from displaying it when the script runs?
set USER = "aaa"
set PASSWORD = "bbb"
ftp -n 10.80.12.18<<XX
user $USER $PASSWORD... (2 Replies)
Hello Friends,
In a script i m using different temporary file and i remove them in the end.
During script execution i have some garbage output which is not required.
For example: Garbage Output
++ rm temp_out temp_a temp_b temp_c
++ rm Filter1 Filter2
Script : Even i am redirecting rm... (7 Replies)
Hi
I have a new hdd installed ,and sometimes if i start a session or ftp download while downloading sometimes it creates a ./filename.type Input/output errorso in that case i can-not overwrite ,rename ,remove ,or place a file with the same name on that dir.
How to prevent this and is there... (3 Replies)
I am back again with one more question,
so I have a phonebook file with names, phone#s
for example: smith, joe 123-456-7890
using awk I want to display all entries with a specific area code. here 's what i have tried so far:
awk '$2~/^123/ {print}' phonebook
I can't figure... (1 Reply)
Hi,
I'm on AIX 5.2. I wrote a script that makes a traceroute to a host. The script works fine but each time it using the traceroute command its generate the 2 output lines.
this is the command in my script
traceroute -n -m 5 -w 2 $Host | grep 172 | awk '{print $2}' | tail -1
traceroute... (2 Replies)
Hi All
I am trying to perform the below operation -count=`cat abc.txt | wc -l`
echo$count
5
Head=Start"$DATE"00000"$count"File
echo $HEAD
START15020300000 5File
There is a space coming before 5 which is not needed . How to ignore that . (4 Replies)
If run the below code today its creating all directory and getting output files,I f run same code tomorrow I am getting error.
can any one give suggestion to sortout this error.
OSError: no such file or directory : '062518'My code looks like this
import paramiko
import sys
import os ... (8 Replies)
Hello,
I am trying to print searched multiple keywords in multiple files.
It is almost okay with the code but the code puts filename in front of each line.
How may I get rid of it?
-grep -A1 'word1' *.txt | grep -A1 'word2' | grep -A1 'word3'
I expect:
Real outcome:
How may I... (3 Replies)
Discussion started by: baris35
3 Replies
LEARN ABOUT MINIX
geom
geom(1)geom(1)NAME
geom - analyzes a molecular geometry input in Cartesian coordinates.
DESCRIPTION
The program geom reads a set of Cartesian coordinates and determines from them the bond distances (Bohr and angstrom), bond angles, tor-
sional angles, out-of-plane angles (optional), moments of inertia, and rotational constants.
FILES REQUIRED
input.dat - Input file
and one of the following:
geom.dat - geometry file
file11.dat - PSI-format geometry/gradient file
FILES GENERATED
geom.out - file containing the analysis
INPUT OPTIONS
The geom program has the following options:
-h Print help information (these options).
-aces [filename]
Read the input in an ACES output format, with each line consisting of atomic symbol, atomic number, and Cartesian coordinates (in
Bohr). The optional argument is the name of the geometry input file, which defaults to geom.dat.
-qchem [filename]
Read the input in an QCHEM output format, with each line consisting of the atom number, the atomic symbol, and Cartesian coordinates
(in Angstroms). The optional argument is the name of the geometry input file, which defaults to geom.dat.
-xyz [filename]
Read the input in an XYZ output format. The first line contains the number of atoms and the second line is a comment line. Subse-
quent lines each contain the atomic symbol and Cartesian X Y and Z coordinates (in Angstroms). The optional argument is the name of
the geometry input file, which defaults to geom.dat.
-oop Print out-of-plane angles, where the angle a-b-c-d is defined as the angle formed by the vector a-d and the plane defined by atoms
b, c, and d.
DO_OOP = boolean
Same as command-line switch -oop described above.
ISOTOPES = matrix of reals/strings
Used to specify masses to be used in the calculation of the center of mass and rotational constants. One array is provided for each
isotopomer to be calculated. The arrays can mix floating point numbers with strings which designate isotopes. If this array is not
given and file11.dat is present, then the masses will be obtained by converting the atomic numbers in file11. If masses are not
given by ISOTOPES or by file11, then no mass-related quantities will be calculated.
-g [filename]
Read Cartesian coordinates from a file other than file11.dat. If a filename is not given, the default is geom.dat. The alternative
file is assumed to be in a format similar to that of PSI's geom.dat. Since such files do not contain atomic numbers, the moments of
inertia and rotational constants are not calculated if this option is used.
READ_GEOM = boolean
This option in input.dat tells geom to read the geometry from geom.dat in the PSI geom.dat format.
-a Print parameters for all pair distances.
PRINT_ALL_DIST = boolean
Same as -a flag described above.
-d distance
Only print parameters involving pairs of atoms which are less than distance bohr apart (default value is 4.0 bohr).
PRINT_DISTANCE = value
Same as -d flag described above.
-angstrom
The input coordinates are in angstroms, not bohr.
ANGSTROM = boolean
If TRUE, the input coordinates are in angstroms instead of bohr. The default is FALSE.
The following example is for calculating the geometrical information for water with several different isotopes. The geometry is
read from geom.dat rather than from file11.dat.
geom: (
read_geom = true
isotopes = (
(O H H)
(O D D)
(O18 1.007825 1.007825)
) )
5 June, 1998 geom(1)