The error tells you what the problem is:
Fatal error: reading tpx file (em.tpr) version 40 with version 20 program You are trying to read an em.tpr file that was generated using version 40 (as noted by the header it is GROMACS 3.3.1) using a version 20 program (as noted by the header it is GROMACS 3.0.5). You have to use a program that is at least 3.3.1 for it to work. Would be better if you were using the current 4.0.x version. Catch ya, Dr. Dallas Warren Department of Pharmaceutical Biology Pharmacy and Pharmaceutical Sciences, Monash University 381 Royal Parade, Parkville VIC 3010 [email protected] +61 3 9903 9167 --------------------------------- When the only tool you own is a hammer, every problem begins to resemble a nail. From: [email protected] [mailto:[email protected]] On Behalf Of s lal badshah Sent: Wednesday, 8 July 2009 8:17 AM To: gromacs Subject: [gmx-users] Fatal error Hi gromacs users, the other fatal error which is produces from my last year data is: s...@linux-g1cj:~/Desktop/283> g_rms -s em.tpr -f md283.trr -o md283-rmsd.xvg :-) G R O M A C S (-: GROningen MAchine for Chemical Simulation :-) VERSION 3.0.5 (-: Copyright (c) 1991-2001, University of Groningen, The Netherlands 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_rms (-: Option Filename Type Description ------------------------------------------------------------ -s em.tpr Input Structure+mass(db): tpr tpb tpa gro g96 pdb -f md283.trr Input Generic trajectory: xtc trr trj gro g96 pdb -f2 traj.xtc Input, Opt. Generic trajectory: xtc trr trj gro g96 pdb -n index.ndx Input, Opt. Index file -o md283-rmsd.xvg Output xvgr/xmgr file -mir rmsdmir.xvg Output, Opt. xvgr/xmgr file -a avgrp.xvg Output, Opt. xvgr/xmgr file -dist rmsd-dist.xvg Output, Opt. xvgr/xmgr file -m rmsd.xpm Output, Opt. X PixMap compatible matrix file -bin rmsd.dat Output, Opt. Generic data file -bm bond.xpm Output, Opt. X PixMap compatible matrix file Option Type Value Description ------------------------------------------------------ -[no]h bool no Print help info and quit -[no]X bool no Use dialog box GUI to edit command line options -nice int 19 Set the nicelevel -b time -1 First frame (ps) to read from trajectory -e time -1 Last frame (ps) to read from trajectory -dt time -1 Only use frame when t MOD dt = first time (ps) -tu enum ps Time unit: ps, fs, ns, us, ms, s, m or h -[no]w bool no View output xvg, xpm, eps and pdb files -what enum rmsd Structural difference measure: rmsd, rho or rhosc -[no]pbc bool yes PBC check -[no]fit bool yes Fit to reference structure -prev int 0 Compare with previous frame -[no]split bool no Split graph where time is zero -skip int 1 Only write every nr-th frame to matrix -skip2 int 1 Only write every nr-th frame to matrix -max real -1 Maximum level in comparison matrix -min real -1 Minimum level in comparison matrix -bmax real -1 Maximum level in bond angle matrix -bmin real -1 Minimum level in bond angle matrix -nlevels int 80 Number of levels in the matrices Reading file em.tpr, VERSION 3.3.1 (single precision) Fatal error: reading tpx file (em.tpr) version 40 with version 20 program So now whats the main problem with this data: Regards, LAL BADSHAH ________________________________ Get your new Email address! <http://sg.rd.yahoo.com/aa/mail/domainchoice/mail/signature/*http:/mail. promotions.yahoo.com/newdomains/aa/> Grab the Email name you've always wanted before someone else does!
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