1 .TH g_sigeps 1 "Thu 26 Aug 2010" "" "GROMACS suite, VERSION 4.5"
3 g_sigeps - convert c6/12 or c6/cn combinations to and from sigma/epsilon
8 .BI "\-o" " potje.xvg "
10 .BI "\-[no]version" ""
24 .BI "\-sigfac" " real "
26 \&Sigeps is a simple utility that converts c6/c12 or c6/cn combinations
27 \&to sigma and epsilon, or vice versa. It can also plot the potential
28 \&in file. In addition it makes an approximation of a Buckingham potential
29 \&to a Lennard Jones potential.
31 .BI "\-o" " potje.xvg"
37 Print help info and quit
39 .BI "\-[no]version" "no "
40 Print version info and quit
42 .BI "\-nice" " int" " 0"
46 View output xvg, xpm, eps and pdb files
48 .BI "\-xvg" " enum" " xmgrace"
49 xvg plot formatting: \fB xmgrace\fR, \fB xmgr\fR or \fB none\fR
51 .BI "\-c6" " real" " 0.001 "
54 .BI "\-cn" " real" " 1e\-06 "
55 constant for repulsion
57 .BI "\-pow" " int" " 12"
58 power of the repulsion term
60 .BI "\-sig" " real" " 0.3 "
63 .BI "\-eps" " real" " 1 "
66 .BI "\-A" " real" " 100000"
69 .BI "\-B" " real" " 32 "
72 .BI "\-C" " real" " 0.001 "
75 .BI "\-qi" " real" " 0 "
78 .BI "\-qj" " real" " 0 "
81 .BI "\-sigfac" " real" " 0.7 "
82 Factor in front of sigma for starting the plot
87 More information about \fBGROMACS\fR is available at <\fIhttp://www.gromacs.org/\fR>.