Hey guys,
Any chance of getting a thread under 'Special Interest Topics' for Interix/SFU? This has to be one of the most poorly documented pieces of software floating around and it works great for interoperability of windows systems with the rest of your unix/linux network rather than having to... (3 Replies)
Just installed SFU in my PC running under Windows XP Pro. Could someone tell us how to change directory and to its subdirectories either by Korn Shell or C Shell?
I tried, cd f:\ or chdir f:\ but it didn't work. (1 Reply)
I'm trying to ftp a file from Solaris to Windows XP Pro using SFU and the command that I used is as follows:
ftp -n “host” << cmd
user “loginname” “password”
cd Directory
ls filename error
bye
cmd
If the filename does not exist, it shows the following output:
Output to local-file:... (2 Replies)
I used printf to print the following under SFU,
lrs=`cat lrs`
hrs=`cat hrs`
tp=`cat tp`
printf “\n\n%5sM = $lrs Ohms%5sX = $hrs Ohms%5sT = $tp %%\n\n\n” > file
cat file
With the above script, I used %% after $tp only as a percentage sign and I get only the following output:
% T =... (5 Replies)
I am new in UNIX so pardon me if I am asking this question. We are using SFU in Windows to have a Windows folder mounted over UNIX. While we can see the mount, everytime i cd on the mounted folder (e.g. cd CONFIG) I always get Permission denies error. Does anyone know why I cannot go inside the... (11 Replies)
Hi all
How can I use ps command on korn shell emulated by SFU on Windows Server ?
All others commands work fine, but this one I don't know :confused:
Many thanks
---------- Post updated at 11:28 AM ---------- Previous update was at 10:12 AM ----------
Ok, it works fine in fact, I'm... (0 Replies)
Hi all
I have a problem again under Korn Shell with SFU.
If I use sqlplus.exe like this :
$ sqlplus.exe "/ as sysdba"
SQL*Plus: Release 9.2.0.1.0
SQL> select value from v$parameter where name='user_dump_dest';
VALUE
-------------------------------------------------------------... (9 Replies)
Hi, I support a small lab of older HP UX 9 and 10 boxes. We have some older NT 4.0 machines at each UX box, with a old ZFS Server programs hosting two mounted directories. (Each UX and NT machine is on its own private network via crossover cable). Due to hardware failure/support EOL on NT, I have... (3 Replies)
Hi all,
i am currently setting my windows XP environment to use with Services for Unix (NFS Client) to mount my unix file system as a network drive. However, though i could mount the unix file directory successful, but the folder is empty (which is not). Why is this so? i have imported my unix... (6 Replies)
Hi all,
When I execute ps command with SFU (Microsoft Windows Services for UNIX), the result is returned as an empty line.
Other commands will return correct results.
How can I get the result of ps command correctly?
Thank you. (2 Replies)
Discussion started by: tcx731
2 Replies
LEARN ABOUT BSD
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)