[gmx-users] Fatal error

[Dallas B. Warren]

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
dallas.warren at pharm.monash.edu.au
+61 3 9903 9167
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble
a nail. 

 

From: gmx-users-bounces at gromacs.org
[mailto:gmx-users-bounces at gromacs.org] 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:
syed at 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!

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20090708/34fbaa11/attachment.html>