[gmx-users] unreadable frame in .trr file -help
David van der Spoel
spoel at xray.bmc.uu.se
Sun Aug 8 16:39:58 CEST 2004
On Sun, 8 Aug 2004, Hadas Lapid wrote:
>I ran a 10 ns trajectory, apparently at one point there was not enough
>disk space, and the program wrote an unreadable frame, never the less
>the run did not crash, and when finished I could not view || analyze
>the traj. beyond that point.
>Furthermore, when trying all options of trjconv to view the problematic
>frame, extract it , skip it etc. the program could not continue beyond
>Is there any way to "save" the rest of the trajectory?
You can use trjconv o split off the first part of the simulation (using
the -e flag). Then you can determine the size in bytes of the frames and
use a unix tool like split to break up the trr file, drop the corrupt
part, and concatenate the rest to the a new trr file.
>gmx-users mailing list
>gmx-users at gromacs.org
>Please don't post (un)subscribe requests to the list. Use the
>www interface or send it to gmx-users-request at gromacs.org.
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
More information about the gromacs.org_gmx-users