Provided by: gromacs-data_4.6.5-1build1_all bug

NAME

       genconf - multiplies a conformation in 'random' orientations

       VERSION 4.6.5

SYNOPSIS

       genconf  -f  conf.gro  -o out.gro -trj traj.xtc -[no]h -[no]version -nice int -nbox vector
       -dist vector -seed int -[no]rot -[no]shuffle -[no]sort  -block  int  -nmolat  int  -maxrot
       vector -[no]renumber

DESCRIPTION

         genconf multiplies a given coordinate file by simply stacking them on top of each other,
       like a small child playing with wooden blocks.  The program makes a grid of   user-defined
       proportions ( -nbox), and interspaces the grid point with an extra space  -dist.

       When option  -rot is used the program does not check for overlap between molecules on grid
       points. It is recommended to make the box in the  input  file  at  least  as  big  as  the
       coordinates + van der Waals radius.

       If  the  optional trajectory file is given, conformations are not generated, but read from
       this file and translated appropriately to build the grid.

FILES

       -f conf.gro Input
        Structure file: gro g96 pdb tpr etc.

       -o out.gro Output
        Structure file: gro g96 pdb etc.

       -trj traj.xtc Input, Opt.
        Trajectory: xtc trr trj gro g96 pdb cpt

OTHER OPTIONS

       -[no]hno
        Print help info and quit

       -[no]versionno
        Print version info and quit

       -nice int 0
        Set the nicelevel

       -nbox vector 1 1 1
        Number of boxes

       -dist vector 0 0 0
        Distance between boxes

       -seed int 0
        Random generator seed, if 0 generated from the time

       -[no]rotno
        Randomly rotate conformations

       -[no]shuffleno
        Random shuffling of molecules

       -[no]sortno
        Sort molecules on X coord

       -block int 1
        Divide the box in blocks on this number of cpus

       -nmolat int 3
        Number of atoms per molecule, assumed to start from 0. If you set  this  wrong,  it  will
       screw up your system!

       -maxrot vector 180 180 180
        Maximum random rotation

       -[no]renumberyes
        Renumber residues

KNOWN PROBLEMS

       - The program should allow for random displacement of lattice points.

SEE ALSO

       gromacs(7)

       More information about GROMACS is available at <http://www.gromacs.org/>.

                                          Mon 2 Dec 2013                               genconf(1)