gmx sigeps [-o [<.xvg>]] [-[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>]
gmx 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.
Options to specify output files:
Other options: