NAME

       g_nmens - generates an ensemble of structures from the normal modes

       VERSION 4.6.5

SYNOPSIS

       g_nmens  -v  eigenvec.trr -e eigenval.xvg -s topol.tpr -n index.ndx -o ensemble.xtc -[no]h
       -[no]version -nice int -xvg enum -temp real -seed int -num int -first int -last int

DESCRIPTION

        g_nmens generates an ensemble around an average structure in a subspace that  is  defined
       by   a   set  of  normal  modes  (eigenvectors).   The  eigenvectors  are  assumed  to  be
       mass-weighted.  The position along each eigenvector is  randomly  taken  from  a  Gaussian
       distribution with variance kT/eigenvalue.

       By  default the starting eigenvector is set to 7, since the first six normal modes are the
       translational and rotational degrees of freedom.

FILES

       -v eigenvec.trr Input
        Full precision trajectory: trr trj cpt

       -e eigenval.xvg Input
        xvgr/xmgr file

       -s topol.tpr Input
        Structure+mass(db): tpr tpb tpa gro g96 pdb

       -n index.ndx Input, Opt.
        Index file

       -o ensemble.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 19
        Set the nicelevel

       -xvg enum xmgrace
        xvg plot formatting:  xmgrace,  xmgr or  none

       -temp real 300
        Temperature in Kelvin

       -seed int -1
        Random seed, -1 generates a seed from time and pid

       -num int 100
        Number of structures to generate

       -first int 7
        First eigenvector to use (-1 is select)

       -last int -1
        Last eigenvector to use (-1 is till the last)

SEE ALSO

       gromacs(7)

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

                                          Mon 2 Dec 2013                               g_nmens(1)