[gmx-users] Broken trr-file

Hansjoerg Jerabek hansjoerg.jerabek at arcs.ac.at
Wed Mar 11 11:54:59 CET 2009

Dear colleagues!

I faced a problem while trying to modify a trr-file using trjconv_d:

     trjconv_d -f ketamine.t2.trr -s ketamine.2.tpr -n bilayer.ndx -o 
ketamine.2.trr -b 43550

In my case the first frame of the trr-file starts at 43500ps (time step: 
I get the following ouput:

    Will write trr: Trajectory in portable xdr format
    Reading file ketamine.2.tpr, VERSION 4.0.3 (double precision)
    Reading file ketamine.2.tpr, VERSION 4.0.3 (double precision)
    Select group for output
    Group     0 (      System) has 25400 elements
    Group     1 (        POPC) has 10400 elements
    Group     2 (         SOL) has 15000 elements
    Select a group: 0
    Selected 0: 'System'
    trn version: GMX_trn_file (double precision)
    *Skipping frame      4 time 43520.000 * 
    Program trjconv_d, VERSION 4.0.3
    Source code file: trnio.c, line: 66

    *File input/output error:
    Can not determine precision of trn file*

It seems that the 4th frame at 43520ps is broken, but I somehow can't 
get rid of it.
Can anybody help me?

Best regards
Hansjoerg Jerabek

More information about the gromacs.org_gmx-users mailing list