NAME¶
g_options - Utility program for generating GROMACS documentation
VERSION
4.5.4
SYNOPSIS¶
g_options -[no]h -[no]version -nice
int
DESCRIPTION¶
GROMACS programs have some standard options, of which some are hidden by
default:
OTHER OPTIONS¶
-[no]hno
Print help info and quit
-[no]versionno
Print version info and quit
-nice int 0
Set the nicelevel
KNOWN PROBLEMS¶
- If the configuration script found Motif or Lesstif on your system, you can use
the graphical interface (if not, you will get an error):
-X gmx_bool
no Use dialog box GUI to edit command line options
- When compiled on an SGI-IRIX system, all GROMACS programs have an additional
option:
-npri int
0 Set non blocking priority (try 128)
- Optional files are not used unless the option is set, in contrast to
non-optional files, where the default file name is used when the option is not
set.
- All GROMACS programs will accept file options without a file extension or
filename being specified. In such cases the default filenames will be used.
With multiple input file types, such as generic structure format, the
directory will be searched for files of each type with the supplied or default
name. When no such file is found, or with output files the first file type
will be used.
- All GROMACS programs with the exception of
mdrun and
eneconv
check if the command line options are valid. If this is not the case, the
program will be halted.
- Enumerated options (enum) should be used with one of the arguments listed in
the option description, the argument may be abbreviated. The first match to
the shortest argument in the list will be selected.
- Vector options can be used with 1 or 3 parameters. When only one parameter is
supplied the two others are also set to this value.
- All GROMACS programs can read compressed or g-zipped files. There might be a
problem with reading compressed
.xtc,
.trr and
.trj
files, but these will not compress very well anyway.
- Most GROMACS programs can process a trajectory with fewer atoms than the run
input or structure file, but only if the trajectory consists of the first n
atoms of the run input or structure file.
- Many GROMACS programs will accept the
-tu option to set the time units
to use in output files (e.g. for
xmgr graphs or
xpm matrices)
and in all time options.
SEE ALSO¶
gromacs(7)
More information about
GROMACS is available at
<
http://www.gromacs.org/>.