murat özçelik wrote:
hi! again..
ı collect all .xvg files into a single file.. and run g_bar
You can't do that. g_bar requires multiple input files, as I stated before.
-Justin
g_bar -f md.xvg -o -oi -oh
the program gave me below result
hayalet@ubuntu:~/Masaüstü$ g_bar -f md.xvg -o -oi -oh
:-) G R O M A C S (-:
Good ROcking Metal Altar for Chronical Sinners
:-) VERSION 4.5.5 (-:
Written by Emile Apol, Rossen Apostolov, Herman J.C. Berendsen,
&nbs! p ; Aldert van Buuren, Pär Bjelkmar, Rudi van Drunen, Anton
Feenstra,
Gerrit Groenhof, Peter Kasson, Per Larsson, Pieter Meulenhoff,
Teemu Murtola, Szilard Pall, Sander Pronk, Roland Schulz,
Michael Shirts, Alfons Sijbers, Peter Tieleman,
Berk Hess, David van der Spoel, and Erik Lindahl.
Copyright (c) 1991-2000, University of Groningen, The Netherlands.
Copyright (c) 2001-2010, The GROMACS development team at
Uppsala University & The Royal Institute of Technology, Sweden.
&nbs! p; check out http://www.gromacs.org for more information.
This program is free software; you can redistribute it and/or
modify it under the terms of the GNU General Public License
as published by the Free Software Foundation; either version 2
of the License, or (at your option) any later version.
:-) g_bar (-:
Option Filename Type Description
------------------------------------------------------------
-f &nbs! p;& nbsp; md.xvg Input, Opt!, Mult. xvgr/xmgr file
-g ener.edr Input, Opt., Mult. Energy file
-o bar.xvg Output, Opt! xvgr/xmgr file
-oi barint.xvg Output, Opt! xvgr/xmgr file
-oh histogram.xvg Output, Opt! xvgr/xmgr file
Option Type Value Description
------------------------------------------------------
-[no]h bool no Print help info and quit
-[no]version bool no Print version info and quit
-nice int 0 Set the nicelevel
-[no]w bool no! & nbsp; View output .xvg, .xpm, .eps and
.pdb files
-xvg enum xmgrace xvg plot formatting: xmgrace, xmgr or none
-b real 0 Begin time for BAR
-e real -1 End time for BAR
-temp real -1 Temperature (K)
-prec int 2 The number of digits after the decimal point
-nbmin int 5 Minimum number of blocks for error estimation
-nbmax int 5 &nbs! p; Maximum number of blocks for error
estimation
-nbin int 100 Number of bins for histogram output
md.xvg: 0.0 - 5000.0; lambda = 1.000
foreign lambdas: 0.000 (5250021 pts) 0.050 (5250021 pts)
Writing histogram to histogram.xvg
Back Off! I just backed up histogram.xvg to ./#histogram.xvg.1#
No results to calculate.
hayalet@ubuntu:~/Masaüstü$
Where I am doing wrong
please help me .. thanks..
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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