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Top Forums Shell Programming and Scripting Column matching and group setting in tab demited file Post 302571590 by newbie83 on Monday 7th of November 2011 08:46:20 PM
Old 11-07-2011
No. Its a file I`m analysing.
 

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

NAME
g_dih - analyzes dihedral transitions VERSION 4.5.4-dev-20110404-bc5695c SYNOPSIS
g_dih -f traj.xtc -s topol.tpr -o hello.out -[no]h -[no]version -nice int -b time -e time -dt time -[no]w -[no]sa -mult int DESCRIPTION
g_dih can do two things. The default is to analyze dihedral transitions by merely computing all the dihedral angles defined in your topol- ogy for the whole trajectory. When a dihedral flips over to another minimum an angle/time plot is made. The opther option is to discretize the dihedral space into a number of bins, and group each conformation in dihedral space in the appropri- ate bin. The output is then given as a number of dihedral conformations sorted according to occupancy. FILES
-f traj.xtc Input Trajectory: xtc trr trj gro g96 pdb cpt -s topol.tpr Input Run input file: tpr tpb tpa -o hello.out Output Generic output 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 -[no]sano Perform cluster analysis in dihedral space instead of analysing dihedral transitions. -mult int -1 mulitiplicity for dihedral angles (by default read from topology) SEE ALSO
gromacs(7) More information about GROMACS is available at <http://www.gromacs.org/>. Mon 4 Apr 2011 g_dih(1)
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