NAME

       g_sigeps - convert c6/12 or c6/cn combinations to and from sigma/epsilon

       VERSION 4.6.5

SYNOPSIS

       g_sigeps -o potje.xvg -[no]h -[no]version -nice int -[no]w -xvg enum -c6 real -cn real -pow int -sig real
       -eps real -A real -B real -C real -qi real -qj real -sigfac real

DESCRIPTION

         g_sigeps  is  a simple utility that converts C6/C12 or C6/Cn combinations to sigma and epsilon, or vice
       versa. It can also plot the potential in  file. In addition, it makes an approximation  of  a  Buckingham
       potential to a Lennard-Jones potential.

FILES

       -o potje.xvg Output
        xvgr/xmgr file

OTHER OPTIONS

       -[no]hno
        Print help info and quit

       -[no]versionno
        Print version info and quit

       -nice int 0
        Set the nicelevel

       -[no]wno
        View output  .xvg,  .xpm,  .eps and  .pdb files

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

       -c6 real 0.001
        C6

       -cn real 1e-06
        Constant for repulsion

       -pow int 12
        Power of the repulsion term

       -sig real 0.3
        sigma

       -eps real 1
        epsilon

       -A real 100000
        Buckingham A

       -B real 32
        Buckingham B

       -C real 0.001
        Buckingham C

       -qi real 0
        qi

       -qj real 0
        qj

       -sigfac real 0.7
        Factor in front of sigma for starting the plot

SEE ALSO

       gromacs(7)

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

                                                 Mon 2 Dec 2013                                      g_sigeps(1)