debian man page for g_sigeps

Query: g_sigeps

OS: debian

Section: 1

Format: Original Unix Latex Style Formatted with HTML and a Horizontal Scroll Bar

g_sigeps(1)					 GROMACS suite, VERSION 4.5.4-dev-20110404-bc5695c				       g_sigeps(1)

NAME
g_sigeps - convert c6/12 or c6/cn combinations to and from sigma/epsilon VERSION 4.5.4-dev-20110404-bc5695c
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 poten- tial 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 sig -eps real 1 eps -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 4 Apr 2011 g_sigeps(1)
Related Man Pages
g_rama(1) - debian
g_anadock(1) - debian
g_dist(1) - debian
g_potential(1) - debian
g_velacc(1) - debian
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