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
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