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

NAME
g_rama - computes Ramachandran plots VERSION 4.5.4-dev-20110404-bc5695c SYNOPSIS
g_rama -f traj.xtc -s topol.tpr -o rama.xvg -[no]h -[no]version -nice int -b time -e time -dt time -[no]w -xvg enum DESCRIPTION
g_rama selects the phi/psi dihedral combinations from your topology file and computes these as a function of time. Using simple Unix tools such as grep you can select out specific residues. FILES
-f traj.xtc Input Trajectory: xtc trr trj gro g96 pdb cpt -s topol.tpr Input Run input file: tpr tpb tpa -o rama.xvg Output 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) -[no]wno View output .xvg, .xpm, .eps and .pdb files -xvg enum xmgrace xvg plot formatting: xmgrace, xmgr or none SEE ALSO
gromacs(7) More information about GROMACS is available at <http://www.gromacs.org/>. Mon 4 Apr 2011 g_rama(1)
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