<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;">Hi gromacs users,<br><br>the other fatal error which is produces from my last year data is:<br>syed@linux-g1cj:~/Desktop/283> g_rms -s em.tpr -f md283.trr -o md283-rmsd.xvg<br> :-) G R O M A C S (-:<br><br> GROningen MAchine for Chemical Simulation<br><br> :-) VERSION 3.0.5 (-:<br><br> Copyright (c) 1991-2001, University of Groningen, The
Netherlands<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_rms (-:<br><br>Option Filename Type Description<br>------------------------------------------------------------<br> -s
em.tpr Input Structure+mass(db): tpr tpb tpa gro g96 pdb<br> -f md283.trr Input Generic trajectory: xtc trr trj gro g96 pdb<br> -f2 traj.xtc Input, Opt. Generic trajectory: xtc trr trj gro g96 pdb<br> -n index.ndx Input, Opt. Index file<br> -o md283-rmsd.xvg Output xvgr/xmgr file<br>-mir rmsdmir.xvg Output, Opt. xvgr/xmgr file<br> -a avgrp.xvg Output, Opt. xvgr/xmgr file<br>-dist rmsd-dist.xvg Output, Opt. xvgr/xmgr file<br> -m rmsd.xpm Output, Opt. X PixMap compatible matrix
file<br>-bin rmsd.dat Output, Opt. Generic data file<br> -bm bond.xpm Output, Opt. X PixMap compatible matrix file<br><br> Option Type Value Description<br>------------------------------------------------------<br> -[no]h bool no Print help info and quit<br> -[no]X bool no Use dialog box GUI to edit command line options<br> -nice int 19 Set the nicelevel<br> -b time -1 First frame (ps) to read from trajectory<br> -e
time -1 Last frame (ps) to read from trajectory<br> -dt time -1 Only use frame when t MOD dt = first time (ps)<br> -tu enum ps Time unit: ps, fs, ns, us, ms, s, m or h<br> -[no]w bool no View output xvg, xpm, eps and pdb files<br> -what enum rmsd Structural difference measure: rmsd, rho or rhosc<br> -[no]pbc bool yes PBC check<br> -[no]fit bool yes Fit to reference structure<br> -prev int 0 Compare with previous
frame<br> -[no]split bool no Split graph where time is zero<br> -skip int 1 Only write every nr-th frame to matrix<br> -skip2 int 1 Only write every nr-th frame to matrix<br> -max real -1 Maximum level in comparison matrix<br> -min real -1 Minimum level in comparison matrix<br> -bmax real -1 Maximum level in bond angle matrix<br> -bmin real -1 Minimum level in bond angle matrix<br>
-nlevels int 80 Number of levels in the matrices<br><br><span style="background-color: rgb(255, 255, 0);">Reading file em.tpr, VERSION 3.3.1 (single precision)</span><br style="background-color: rgb(255, 255, 0);"><span style="background-color: rgb(255, 255, 0);">Fatal error: reading tpx file (em.tpr) version 40 with version 20 program</span><br style="background-color: rgb(255, 255, 0);"><br>So now whats the main problem with this data:<br><div><strong><font color="#007f40"><br>Regards,</font></strong></div> <div><strong></strong><strong><font color="#007f40">LAL BADSHAH <br></font></strong></div><strong><font color="#007f40"></font></strong></td></tr></table><br>
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