Unix and Linux Discussions Tagged with real |
|
Thread / Thread Starter |
Last Post |
Replies |
Views |
Forum |
|
|
|
0 |
3,900 |
Programming |
|
|
|
0 |
1,433 |
Complex Event Processing RSS News |
|
|
|
0 |
2,258 |
Complex Event Processing RSS News |
|
|
|
0 |
1,307 |
Complex Event Processing RSS News |
|
|
|
0 |
2,465 |
Solaris BigAdmin RSS |
|
|
|
5 |
12,985 |
Shell Programming and Scripting |
|
|
|
1 |
6,575 |
UNIX and Linux Applications |
|
|
|
0 |
1,585 |
Complex Event Processing RSS News |
|
|
|
0 |
683 |
Software Releases - RSS News |
|
|
|
1 |
5,333 |
Solaris |
|
|
|
3 |
14,419 |
Programming |
|
|
|
1 |
2,180 |
Solaris |
|
|
|
0 |
1,174 |
Complex Event Processing RSS News |
|
|
|
0 |
625 |
Software Releases - RSS News |
|
|
|
0 |
1,107 |
Security Advisories (RSS) |
|
|
|
0 |
1,099 |
Complex Event Processing RSS News |
|
|
|
0 |
2,641 |
Virtualization and Cloud Computing |
|
|
|
0 |
2,322 |
Programming |
|
|
|
0 |
1,952 |
Complex Event Processing RSS News |
|
|
|
0 |
1,468 |
Complex Event Processing RSS News |
|
|
|
0 |
1,781 |
Cartoons for Geeks |
|
|
|
0 |
1,187 |
Complex Event Processing RSS News |
|
|
|
0 |
1,576 |
Complex Event Processing RSS News |
|
|
|
0 |
1,220 |
UNIX and Linux RSS News |
|
|
|
0 |
1,482 |
Oracle Updates (RSS) |
|
|
|
0 |
1,430 |
Security Advisories (RSS) |
|
|
|
0 |
822 |
Software Releases - RSS News |
|
|
|
7 |
5,122 |
Programming |
|
|
|
0 |
1,595 |
Complex Event Processing RSS News |
|
|
|
0 |
828 |
Software Releases - RSS News |
|
|
|
0 |
2,368 |
Complex Event Processing RSS News |
|
|
|
0 |
737 |
Software Releases - RSS News |
|
|
|
6 |
15,502 |
Shell Programming and Scripting |
|
|
|
1 |
5,558 |
UNIX for Advanced & Expert Users |
|
|
|
2 |
4,838 |
Cybersecurity |
|
|
|
2 |
3,816 |
UNIX for Dummies Questions & Answers |
|
|
|
1 |
3,922 |
UNIX for Dummies Questions & Answers |
|
|
|
2 |
2,053 |
UNIX for Dummies Questions & Answers |
|
|
|
4 |
9,612 |
Programming |
|
|
|
3 |
3,773 |
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)