.TH gmx-sigeps 1 "" "VERSION 5.0.2" "GROMACS Manual"
.SH NAME
gmx-sigeps \- Convert c6/12 or c6/cn combinations to and from sigma/epsilon

.SH SYNOPSIS
gmx sigeps [\-o [<.xvg>]] [\-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>]

.SH DESCRIPTION
\fBgmx sigeps\fR 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.

.SH OPTIONS
Options to specify input and output files:

.BI "\-o" " [<.xvg>] (potje.xvg) (Output)"
    xvgr/xmgr file


Other options:

.BI "\-nice" " <int> (0)"
    Set the nicelevel

.BI "\-[no]w" "  (no)"
    View output \fB.xvg\fR, \fB.xpm\fR, \fB.eps\fR and \fB.pdb\fR files

.BI "\-xvg" " <enum> (xmgrace)"
    xvg plot formatting: xmgrace, xmgr, none

.BI "\-c6" " <real> (0.001)"
    C6

.BI "\-cn" " <real> (1e-06)"
    Constant for repulsion

.BI "\-pow" " <int> (12)"
    Power of the repulsion term

.BI "\-sig" " <real> (0.3)"
    sigma

.BI "\-eps" " <real> (1)"
    epsilon

.BI "\-A" " <real> (100000)"
    Buckingham A

.BI "\-B" " <real> (32)"
    Buckingham B

.BI "\-C" " <real> (0.001)"
    Buckingham C

.BI "\-qi" " <real> (0)"
    qi

.BI "\-qj" " <real> (0)"
    qj

.BI "\-sigfac" " <real> (0.7)"
    Factor in front of sigma for starting the plot


.SH SEE ALSO
.BR gromacs(7)

More information about \fBGROMACS\fR is available at <\fIhttp://www.gromacs.org/\fR>.