.TH g_principal 1 "Mon 4 Apr 2011" "" "GROMACS suite, VERSION 4.5.4-dev-20110404-bc5695c" .SH NAME g_principal - calculates axes of inertia for a group of atoms .B VERSION 4.5.4-dev-20110404-bc5695c .SH SYNOPSIS \f3g_principal\fP .BI "\-f" " traj.xtc " .BI "\-s" " topol.tpr " .BI "\-n" " index.ndx " .BI "\-a1" " axis1.dat " .BI "\-a2" " axis2.dat " .BI "\-a3" " axis3.dat " .BI "\-om" " moi.dat " .BI "\-[no]h" "" .BI "\-[no]version" "" .BI "\-nice" " int " .BI "\-b" " time " .BI "\-e" " time " .BI "\-dt" " time " .BI "\-tu" " enum " .BI "\-[no]w" "" .BI "\-[no]foo" "" .SH DESCRIPTION \&\fB g_principal\fR calculates the three principal axes of inertia for a group \&of atoms. .SH FILES .BI "\-f" " traj.xtc" .B Input Trajectory: xtc trr trj gro g96 pdb cpt .BI "\-s" " topol.tpr" .B Input Structure+mass(db): tpr tpb tpa gro g96 pdb .BI "\-n" " index.ndx" .B Input, Opt. Index file .BI "\-a1" " axis1.dat" .B Output Generic data file .BI "\-a2" " axis2.dat" .B Output Generic data file .BI "\-a3" " axis3.dat" .B Output Generic data file .BI "\-om" " moi.dat" .B Output Generic data file .SH OTHER OPTIONS .BI "\-[no]h" "no " Print help info and quit .BI "\-[no]version" "no " Print version info and quit .BI "\-nice" " int" " 19" Set the nicelevel .BI "\-b" " time" " 0 " First frame (ps) to read from trajectory .BI "\-e" " time" " 0 " Last frame (ps) to read from trajectory .BI "\-dt" " time" " 0 " Only use frame when t MOD dt = first time (ps) .BI "\-tu" " enum" " ps" Time unit: \fB fs\fR, \fB ps\fR, \fB ns\fR, \fB us\fR, \fB ms\fR or \fB s\fR .BI "\-[no]w" "no " View output \fB .xvg\fR, \fB .xpm\fR, \fB .eps\fR and \fB .pdb\fR files .BI "\-[no]foo" "no " Dummy option to avoid empty array .SH SEE ALSO .BR gromacs(7) More information about \fBGROMACS\fR is available at <\fIhttp://www.gromacs.org/\fR>.