Unix and Linux Discussions Tagged with dat |
|
Thread / Thread Starter |
Last Post |
Replies |
Views |
Forum |
|
|
|
7 |
6,229 |
UNIX for Beginners Questions & Answers |
|
|
|
2 |
4,460 |
Shell Programming and Scripting |
|
|
|
3 |
11,427 |
Homework & Coursework Questions |
|
|
|
1 |
2,440 |
UNIX for Beginners Questions & Answers |
|
|
|
3 |
14,479 |
Shell Programming and Scripting |
|
|
|
9 |
3,023 |
UNIX for Advanced & Expert Users |
|
|
|
4 |
1,138 |
Shell Programming and Scripting |
|
|
|
2 |
2,058 |
UNIX for Advanced & Expert Users |
|
|
|
6 |
6,626 |
SCO |
|
|
|
6 |
4,073 |
Shell Programming and Scripting |
|
|
|
3 |
8,631 |
UNIX for Dummies Questions & Answers |
|
|
|
3 |
4,603 |
Solaris |
|
|
|
6 |
1,678 |
Shell Programming and Scripting |
|
|
|
0 |
1,333 |
UNIX and Linux RSS News |
|
|
|
6 |
1,936 |
Shell Programming and Scripting |
|
|
|
1 |
1,564 |
Shell Programming and Scripting |
|
|
|
1 |
2,652 |
Solaris |
|
|
|
3 |
2,388 |
SCO |
|
|
|
5 |
40,409 |
Shell Programming and Scripting |
|
|
|
2 |
2,162 |
UNIX for Dummies Questions & Answers |
|
|
|
19 |
4,914 |
UNIX for Dummies Questions & Answers |
|
|
|
2 |
3,746 |
Shell Programming and Scripting |
|
|
|
2 |
2,261 |
UNIX for Dummies Questions & Answers |
|
|
|
3 |
1,857 |
Shell Programming and Scripting |
|
|
|
10 |
3,566 |
Shell Programming and Scripting |
|
|
|
3 |
2,068 |
Shell Programming and Scripting |
|
|
|
0 |
1,269 |
Malware Advisories (RSS) |
|
|
|
4 |
20,786 |
UNIX for Dummies Questions & Answers |
|
|
|
5 |
2,586 |
UNIX for Dummies Questions & Answers |
|
|
|
6 |
8,488 |
Shell Programming and Scripting |
|
|
|
1 |
2,718 |
Programming |
|
|
|
1 |
1,502 |
UNIX for Dummies Questions & Answers |
|
|
|
6 |
9,633 |
Programming |
|
|
|
0 |
2,300 |
Oracle Updates (RSS) |
|
|
|
3 |
2,256 |
Shell Programming and Scripting |
|
|
|
1 |
1,711 |
Shell Programming and Scripting |
|
|
|
10 |
4,383 |
Shell Programming and Scripting |
|
|
|
16 |
4,097 |
UNIX for Dummies Questions & Answers |
|
|
|
2 |
1,925 |
Shell Programming and Scripting |
|
|
|
2 |
4,708 |
Shell Programming and Scripting |
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)