.TH g_sigeps 1 "Mon 4 Apr 2011" "" "GROMACS suite, VERSION 4.5.4-dev-20110404-bc5695c"
.SH NAME
g_sigeps - convert c6/12 or c6/cn combinations to and from sigma/epsilon

.B VERSION 4.5.4-dev-20110404-bc5695c
.SH SYNOPSIS
\f3g_sigeps\fP
.BI "\-o" " potje.xvg "
.BI "\-[no]h" ""
.BI "\-[no]version" ""
.BI "\-nice" " int "
.BI "\-[no]w" ""
.BI "\-xvg" " enum "
.BI "\-c6" " real "
.BI "\-cn" " real "
.BI "\-pow" " int "
.BI "\-sig" " real "
.BI "\-eps" " real "
.BI "\-A" " real "
.BI "\-B" " real "
.BI "\-C" " real "
.BI "\-qi" " real "
.BI "\-qj" " real "
.BI "\-sigfac" " real "
.SH DESCRIPTION
\&\fB g_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 FILES
.BI "\-o" " potje.xvg" 
.B Output
 xvgr/xmgr file 

.SH OTHER OPTIONS
.BI "\-[no]h"  "no    "
 Print help info and quit

.BI "\-[no]version"  "no    "
 Print version info and quit

.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: \fB xmgrace\fR, \fB xmgr\fR or \fB none\fR

.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   " 
 sig

.BI "\-eps"  " real" " 1     " 
 eps

.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>.