My code below is supposed to find which company had the most business and then print the appropriate fields from another file which are the companies ID number and name. I can loop through awk and display all the total amount of business for each company but I need help in only printing out the... (1 Reply)
Hi,
I have this input file called ttbitnres (which is catenated and sorted):-
8 0.4444 213
10 0.5555 342
11 0.5555 321
12 0.5555 231
13 0.4444 400
My code is at :-
#!/bin/bash
echo -e Version "\t" Number of Pass "\t" Number of Fail "\t" Rank Position "\t"Min "\t" Max... (1 Reply)
I am reading a cpp file thru shell script . There are many fuctions inside the cpp file
eg
pvvd_fncn_name1
{
..... something
}
pvvd_fncn_name2
{
..... something
}
what I require is a method to find the first opening brace and the coresponding last brace and search... (2 Replies)
Hi, i have a file with numbers in it and i was wondering if there's a script i could use to find the max number and have that printed to a new file?
example a.txt
18
26
47
34
27
so find the max number in a.txt and print it to b.txt.
Thanks! (17 Replies)
Hi Folks.Just out of interest does anyone know if their is a maximum number of variables that korn shell supports and if so how do I query what it is?Cheers (1 Reply)
Hi, I would just like to know how to get the file with the max filename on a directory and get rid of all the others. For example, in directory A:/ i have the ff files:
APPLE2001
APPLE2002
APPLE2003
GRAPE2004
what I want to get is the max in files whose filenames start with APPLE*,... (4 Replies)
Hi
I have a list of 2000 records with multiple entries and I want to get the max size for each entry
ABC 1
ABC 2
ABC 3
ABC 4
DEF 1
DEF 2
DEF 2
DEF 2
DEF 2
... (9 Replies)
Hi,
I have the below text:
16:00 0.50
16:00 0.30
16:00 0.00
16:00 0.00
16:00 0.30
16:01 0.00
16:01 0.30
I want to find the max of the 2nd column grouping by the values in the 1st column using awk. So
16:00 0.50
16:01 0.30
I have tried (3 Replies)
Discussion started by: satishrao
3 Replies
LEARN ABOUT DEBIAN
g_lie
g_lie(1) GROMACS suite, VERSION 4.5.4-dev-20110404-bc5695c g_lie(1)NAME
g_lie - free energy estimate from linear combinations
VERSION 4.5.4-dev-20110404-bc5695c
SYNOPSIS
g_lie -f ener.edr -o lie.xvg -[no]h -[no]version -nice int -b time -e time -dt time -[no]w -xvg enum -Elj real -Eqq real -Clj real -Cqq
real -ligand string
DESCRIPTION
g_lie computes a free energy estimate based on an energy analysis from. One needs an energy file with the following components: Coul (A-B)
LJ-SR (A-B) etc.
FILES -f ener.edr Input
Energy file
-o lie.xvg Output
xvgr/xmgr file
OTHER OPTIONS
-[no]hno
Print help info and quit
-[no]versionno
Print version info and quit
-nice int 19
Set the nicelevel
-b time 0
First frame (ps) to read from trajectory
-e time 0
Last frame (ps) to read from trajectory
-dt time 0
Only use frame when t MOD dt = first time (ps)
-[no]wno
View output .xvg, .xpm, .eps and .pdb files
-xvg enum xmgrace
xvg plot formatting: xmgrace, xmgr or none
-Elj real 0
Lennard-Jones interaction between ligand and solvent
-Eqq real 0
Coulomb interaction between ligand and solvent
-Clj real 0.181
Factor in the LIE equation for Lennard-Jones component of energy
-Cqq real 0.5
Factor in the LIE equation for Coulomb component of energy
-ligand string none
Name of the ligand in the energy file
SEE ALSO gromacs(7)
More information about GROMACS is available at <http://www.gromacs.org/>.
Mon 4 Apr 2011 g_lie(1)