Unix and Linux Discussions Tagged with real |
|
Thread / Thread Starter |
Last Post |
Replies |
Views |
Forum |
|
|
|
0 |
4,141 |
Programming |
|
|
|
0 |
1,443 |
Complex Event Processing RSS News |
|
|
|
0 |
2,268 |
Complex Event Processing RSS News |
|
|
|
0 |
1,330 |
Complex Event Processing RSS News |
|
|
|
0 |
2,477 |
Solaris BigAdmin RSS |
|
|
|
5 |
13,068 |
Shell Programming and Scripting |
|
|
|
1 |
6,608 |
UNIX and Linux Applications |
|
|
|
0 |
1,610 |
Complex Event Processing RSS News |
|
|
|
0 |
693 |
Software Releases - RSS News |
|
|
|
1 |
5,430 |
Solaris |
|
|
|
3 |
14,696 |
Programming |
|
|
|
1 |
2,207 |
Solaris |
|
|
|
0 |
1,184 |
Complex Event Processing RSS News |
|
|
|
0 |
637 |
Software Releases - RSS News |
|
|
|
0 |
1,160 |
Security Advisories (RSS) |
|
|
|
0 |
1,110 |
Complex Event Processing RSS News |
|
|
|
0 |
2,696 |
Virtualization and Cloud Computing |
|
|
|
0 |
2,349 |
Programming |
|
|
|
0 |
1,961 |
Complex Event Processing RSS News |
|
|
|
0 |
1,530 |
Complex Event Processing RSS News |
|
|
|
0 |
1,796 |
Cartoons for Geeks |
|
|
|
0 |
1,196 |
Complex Event Processing RSS News |
|
|
|
0 |
1,593 |
Complex Event Processing RSS News |
|
|
|
0 |
1,253 |
UNIX and Linux RSS News |
|
|
|
0 |
1,494 |
Oracle Updates (RSS) |
|
|
|
0 |
1,479 |
Security Advisories (RSS) |
|
|
|
0 |
838 |
Software Releases - RSS News |
|
|
|
7 |
5,150 |
Programming |
|
|
|
0 |
1,608 |
Complex Event Processing RSS News |
|
|
|
0 |
844 |
Software Releases - RSS News |
|
|
|
0 |
2,385 |
Complex Event Processing RSS News |
|
|
|
0 |
746 |
Software Releases - RSS News |
|
|
|
6 |
15,575 |
Shell Programming and Scripting |
|
|
|
1 |
5,596 |
UNIX for Advanced & Expert Users |
|
|
|
2 |
4,971 |
Cybersecurity |
|
|
|
2 |
3,922 |
UNIX for Dummies Questions & Answers |
|
|
|
1 |
4,085 |
UNIX for Dummies Questions & Answers |
|
|
|
2 |
2,073 |
UNIX for Dummies Questions & Answers |
|
|
|
4 |
9,769 |
Programming |
|
|
|
3 |
3,836 |
UNIX for Dummies Questions & Answers |
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)