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hi! again..<br>ý collect all .xvg files into a single file.. and run g_bar <br><font style="" face="Arial"><font size="3"><pre>g_bar -f md.xvg -o -oi -oh<br></pre></font></font>the program gave me below result<br><br>hayalet@ubuntu:~/Masaüstü$ g_bar -f md.xvg -o -oi -oh<br> :-) G R O M A C S (-:<br><br> Good ROcking Metal Altar for Chronical Sinners<br><br> :-) VERSION 4.5.5 (-:<br><br> Written by Emile Apol, Rossen Apostolov, Herman J.C. Berendsen,<br>  
; Aldert van Buuren, Pär Bjelkmar, Rudi van Drunen, Anton Feenstra, <br> Gerrit Groenhof, Peter Kasson, Per Larsson, Pieter Meulenhoff, <br> Teemu Murtola, Szilard Pall, Sander Pronk, Roland Schulz, <br> Michael Shirts, Alfons Sijbers, Peter Tieleman,<br><br> Berk Hess, David van der Spoel, and Erik Lindahl.<br><br> Copyright (c) 1991-2000, University of Groningen, The Netherlands.<br> Copyright (c) 2001-2010, The GROMACS development team at<br> Uppsala University & The Royal Institute of Technology, Sweden.<br>
check out http://www.gromacs.org for more information.<br><br> This program is free software; you can redistribute it and/or<br> modify it under the terms of the GNU General Public License<br> as published by the Free Software Foundation; either version 2<br> of the License, or (at your option) any later version.<br><br> :-) g_bar (-:<br><br>Option Filename Type Description<br>------------------------------------------------------------<br> -f &
nbsp; md.xvg Input, Opt!, Mult. xvgr/xmgr file<br> -g ener.edr Input, Opt., Mult. Energy file<br> -o bar.xvg Output, Opt! xvgr/xmgr file<br> -oi barint.xvg Output, Opt! xvgr/xmgr file<br> -oh histogram.xvg Output, Opt! xvgr/xmgr file<br><br>Option Type Value Description<br>------------------------------------------------------<br>-[no]h bool no Print help info and quit<br>-[no]version bool no Print version info and quit<br>-nice int 0 Set the nicelevel<br>-[no]w bool no&
nbsp; View output .xvg, .xpm, .eps and .pdb files<br>-xvg enum xmgrace xvg plot formatting: xmgrace, xmgr or none<br>-b real 0 Begin time for BAR<br>-e real -1 End time for BAR<br>-temp real -1 Temperature (K)<br>-prec int 2 The number of digits after the decimal point<br>-nbmin int 5 Minimum number of blocks for error estimation<br>-nbmax int 5
Maximum number of blocks for error estimation<br>-nbin int 100 Number of bins for histogram output<br><br>md.xvg: 0.0 - 5000.0; lambda = 1.000<br> foreign lambdas: 0.000 (5250021 pts) 0.050 (5250021 pts)<br><br><br>Writing histogram to histogram.xvg<br><br>Back Off! I just backed up histogram.xvg to ./#histogram.xvg.1#<br><br>No results to calculate.<br>hayalet@ubuntu:~/Masaüstü$ <br><br><span id="result_box" class="short_text" lang="en"><span class="hps">Where</span> <span class="hps">I</span> <span class="hps">am doing</span> <span class="hps">wrong<br><br>please help me .. thanks..<br><br></span></span><br>                                            </div></body>
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