Linux and UNIX Man Pages

Test Your Knowledge in Computers #64
Difficulty: Easy
HTTP uses UDP as the core transport protocol on the Internet.
True or False?
Linux & Unix Commands - Search Man Pages

g_principal(1) [debian man page]

g_principal(1)					 GROMACS suite, VERSION 4.5.4-dev-20110404-bc5695c				    g_principal(1)

NAME
g_principal - calculates axes of inertia for a group of atoms VERSION 4.5.4-dev-20110404-bc5695c SYNOPSIS
g_principal -f traj.xtc -s topol.tpr -n index.ndx -a1 axis1.dat -a2 axis2.dat -a3 axis3.dat -om moi.dat -[no]h -[no]version -nice int -b time -e time -dt time -tu enum -[no]w -[no]foo DESCRIPTION
g_principal calculates the three principal axes of inertia for a group of atoms. FILES
-f traj.xtc Input Trajectory: xtc trr trj gro g96 pdb cpt -s topol.tpr Input Structure+mass(db): tpr tpb tpa gro g96 pdb -n index.ndx Input, Opt. Index file -a1 axis1.dat Output Generic data file -a2 axis2.dat Output Generic data file -a3 axis3.dat Output Generic data file -om moi.dat Output Generic data file OTHER OPTIONS
-[no]hno Print help info and quit -[no]versionno Print version info and quit -nice int 19 Set the nicelevel -b time 0 First frame (ps) to read from trajectory -e time 0 Last frame (ps) to read from trajectory -dt time 0 Only use frame when t MOD dt = first time (ps) -tu enum ps Time unit: fs, ps, ns, us, ms or s -[no]wno View output .xvg, .xpm, .eps and .pdb files -[no]foono Dummy option to avoid empty array SEE ALSO
gromacs(7) More information about GROMACS is available at <http://www.gromacs.org/>. Mon 4 Apr 2011 g_principal(1)

Check Out this Related Man Page

g_dist(1)					 GROMACS suite, VERSION 4.5.4-dev-20110404-bc5695c					 g_dist(1)

NAME
g_dist - calculates the distances between the centers of mass of two groups VERSION 4.5.4-dev-20110404-bc5695c SYNOPSIS
g_dist -f traj.xtc -s topol.tpr -n index.ndx -o dist.xvg -lt lifetime.xvg -[no]h -[no]version -nice int -b time -e time -dt time -xvg enum -dist real DESCRIPTION
g_dist can calculate the distance between the centers of mass of two groups of atoms as a function of time. The total distance and its x-, y-, and z-components are plotted. Or when -dist is set, print all the atoms in group 2 that are closer than a certain distance to the center of mass of group 1. With options -lt and -dist the number of contacts of all atoms in group 2 that are closer than a certain distance to the center of mass of group 1 are plotted as a function of the time that the contact was continuously present. Other programs that calculate distances are g_mindist and g_bond. FILES
-f traj.xtc Input Trajectory: xtc trr trj gro g96 pdb cpt -s topol.tpr Input Run input file: tpr tpb tpa -n index.ndx Input, Opt. Index file -o dist.xvg Output, Opt. xvgr/xmgr file -lt lifetime.xvg Output, Opt. xvgr/xmgr file OTHER OPTIONS
-[no]hno Print help info and quit -[no]versionno Print version info and quit -nice int 19 Set the nicelevel -b time 0 First frame (ps) to read from trajectory -e time 0 Last frame (ps) to read from trajectory -dt time 0 Only use frame when t MOD dt = first time (ps) -xvg enum xmgrace xvg plot formatting: xmgrace, xmgr or none -dist real 0 Print all atoms in group 2 closer than dist to the center of mass of group 1 SEE ALSO
gromacs(7) More information about GROMACS is available at <http://www.gromacs.org/>. Mon 4 Apr 2011 g_dist(1)

15 More Discussions You Might Find Interesting

1. UNIX for Dummies Questions & Answers

Unreadable Unix File

Hi Everyone, I have a question for you all. I am working at a company and we are trying to recover .dat files which were created on an older linux box and we have a folder of .dat files that are unreadable. When you try to open them in a text editor you get jibberish all shapes and sizes and... (19 Replies)
Discussion started by: ryangfm
19 Replies

2. Shell Programming and Scripting

Can I write a string into file from shell?

Hi , If I used this wc -l *.dat ,it will count number of line in these files like this 1234 test1.dat 2345 test2.dat 3456 test3.dat 7035 total can I add '|'(pipe) in the middle of those number and string like this 1234|test1.dat 2345|test2.dat 3456|test3.dat Thanks in advance. (10 Replies)
Discussion started by: guitaroa47
10 Replies

3. Shell Programming and Scripting

remove files other than selected

I wanna remove a set files other than some selected files. Eg. :rolleyes::rolleyes::rolleyes: a directory contains n files like test1.dat test2.dat test3.dat test4.dat out5.dat out1.dat i wanna remove all files which doesnot name like *test* I want to use this in shell... (22 Replies)
Discussion started by: freakygs
22 Replies

4. Shell Programming and Scripting

file moving based on file content

Hi All my scenario is as follows... I have the following three files in directory alphabet, containing the respective character string... Filename Character String alphabet01.dat AAA alphabet02.dat BBB alphabet03.dat CCC based on... (12 Replies)
Discussion started by: melvyn.cochrane
12 Replies

5. Shell Programming and Scripting

issue in calculation

Hi all Already posted this question,i belive i didn't exactly said my question. I have data files it stored in the different path like /st/vr/sum.dat /st/vr/pass.dat /st/vr/fail.dat we are not suppoe to mention the hardcode value of the path. I need to calculate the percentage of... (10 Replies)
Discussion started by: bobprabhu
10 Replies

6. Shell Programming and Scripting

Need to pick a .dat file dynamically

Hi everybody, I have a problem while using oracle sqlldr in unix. I get a .dat file through SFTP and placed at some location.I need to write a shell script to pick the .dat file dynamically what ever the full name so that i can refer this .dat file in my sqlldr control file. eg: ... (10 Replies)
Discussion started by: ramprius
10 Replies

7. Shell Programming and Scripting

How to add spaces to test.dat file in unix??

Hi I have a test.dat file in UNIX which has a data.I am informatica developer i get data in those files.I need to add 50 spaces to those data in test.dat file.I am new to unix So can any one help how can i do that. I have some 2088 rows in that test.dat file. Can anyone help me please its... (11 Replies)
Discussion started by: karingulanagara
11 Replies

8. UNIX for Dummies Questions & Answers

How to compare 2 files & get specific value & replace it in other file.

Hiiii Friends I have 2 files with huge data. I want to compare this 2 files & if they hav same set of vales in specific rows & columns i need to get that value from one file & replace it in other. For example: I have few set data of both files here: a.dat: PDE-W 2009 12 16 5 29 11.11 ... (10 Replies)
Discussion started by: reva
10 Replies

9. Shell Programming and Scripting

Merge 3 files in 1 file in an ordered way

Hi, I have a question that I cannot solve. if I have a file like this (lets say "x-values.dat"): x1 x2 x3 another file like this (lets say "y-values.dat"): y1 y2 y3 y4 and another file like this (lets say "p-values.dat"): p1 p2 p3 ... p12 How can I get this output? x1 y1 p1 x1 y2... (16 Replies)
Discussion started by: lego
16 Replies

10. Shell Programming and Scripting

reading a .dat file in to a string

i have folowing code. i dont want data in an array. i like to put my data file info (after filtering and converting to lower case) in to a string call "name". so it would look like this, name= ffjtgj345 thgkty3 456gfhf rhtfn4 ...... how do i do that? i dont want to read # or blank lines. ... (13 Replies)
Discussion started by: usustarr
13 Replies

11. Shell Programming and Scripting

Help with Shell Script

Hi, I would like reading first 3 charcters from dat file and need to creat a new file based on the reading. Assume in dat file first 3 charcters would be "abc" .that entire record needs to be extract in to a new file and remove the record from that dat file. Regards, KK (10 Replies)
Discussion started by: Krishna6389
10 Replies

12. Shell Programming and Scripting

How to Removing a dot from a file name?

I need a script that will allow me to rename all of my files in subdir /FilesIn as follows: From kumc_835_111200.RMT.dat to kumc_835_111200RMT.dat kumc_835_111200.KMR.dat to kumc_835_111200KMR.dat .................etc How do I do that whithout doing a sed ... (10 Replies)
Discussion started by: mrn6430
10 Replies

13. UNIX for Dummies Questions & Answers

Unix Script to compare two files

Hello, I have a dat file nctilllist.dat which will be present in the directory path "/usr/lpp/web-data/mfg/nct/file-data/nctilllist.dat" nctillist.dat will have reference to files like DP100001.jpg,DP10002.PDF,DP100003.doc on the path /usr/lpp/web-data/mfg/nct/file-data will have... (12 Replies)
Discussion started by: gayathrivm
12 Replies

14. Shell Programming and Scripting

How to sort the files according to the number?

Hi Everyone, I have a question: I have a lot of file named like or10000.dat, or9100.dat, or100.dat, or3100.dat... I want to deal with these files according to the number in the name. So I want to deal with or100.dat first and then or3100.dat and so on. I used : for i in `ls or*.dat |... (11 Replies)
Discussion started by: wxuyec
11 Replies

15. UNIX for Beginners Questions & Answers

Check that at least one file exists in the directory.

There are some files with suffix dates like abc_20032019.dat abc_17032019.dat If at least one file exists then perform some operation else exit from execution. Korn shell ---------------------------------- array=($inputdir/abc*.dat) If ] ] then echo " file exits" else echo " file does... (10 Replies)
Discussion started by: Rajesh123
10 Replies

Featured Tech Videos