G_LUCK(1) General Commands Manual G_LUCK(1)NAME
g_luck - GROMACS installation test program
SYNOPSIS
g_luck
DESCRIPTION
g_luck writes a randomly selected quote to stdout. Normally this serves to test a freshly-compiled GROMACS installation; it also helps to
maintain that air of cultural sophistication and wide-ranging appeal that characterizes any molecular dynamics package worth its force
fields.
OPTIONS
g_luck takes no options. It may vary its output depending on whether the user is cool or not.
SEE ALSO fortune(1), gromacs(7)AUTHOR
Sadly, the current GROMACS distribution lacks official documentation for this command.
This manual page was written by Nicholas Breen <nbreen@ofb.net>, for the Debian GNU/Linux system (but may be used by others).
GROMACS suite, Version 4.5 2 Oct 2010 G_LUCK(1)
Check Out this Related Man Page
g_protonate(1) GROMACS suite, VERSION 4.5.4-dev-20110404-bc5695c g_protonate(1)NAME
g_protonate - protonates structures
VERSION 4.5.4-dev-20110404-bc5695c
SYNOPSIS
g_protonate -s topol.tpr -f traj.xtc -n index.ndx -o protonated.xtc -[no]h -[no]version -nice int -b time -e time -dt time
DESCRIPTION
g_protonate reads (a) conformation(s) and adds all missing hydrogens as defined in gmx2.ff/aminoacids.hdb. If only -s is specified, this
conformation will be protonated, if also -f is specified, the conformation(s) will be read from this file, which can be either a single
conformation or a trajectory.
If a .pdb file is supplied, residue names might not correspond to to the GROMACS naming conventions, in which case these residues will
probably not be properly protonated.
If an index file is specified, please note that the atom numbers should correspond to the protonated state.
FILES -s topol.tpr Input
Structure+mass(db): tpr tpb tpa gro g96 pdb
-f traj.xtc Input, Opt.
Trajectory: xtc trr trj gro g96 pdb cpt
-n index.ndx Input, Opt.
Index file
-o protonated.xtc Output
Trajectory: xtc trr trj gro g96 pdb
OTHER OPTIONS
-[no]hno
Print help info and quit
-[no]versionno
Print version info and quit
-nice int 0
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)
SEE ALSO gromacs(7)
More information about GROMACS is available at <http://www.gromacs.org/>.
Mon 4 Apr 2011 g_protonate(1)
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