This is great advice from Mark. If you don't get around to doing analysis frequently, then you can at least set up your run script to execute gmxcheck on all relevant files prior to each time you restart a run in which you load in a .cpt file and to error out if there is some corruption found.
Chris. -- original message -- AFAIK there is no magic number header. However, .trr files have frames of constant size, so you can make a .tpr that will write a .trr file that will include the longest period of your nst[xfv]out. Some Unix tool like dd (or maybe hexdump) can probably tell you the size of that repeating unit. Then you can use dd to write increasingly larger multiples of that size to get a subset that includes all the trajectory before the *second* corruption. Back up your files first! I suggest you write two periods to check my assertion that the frames ought to be of constant size. Practice on a small trajectory you don't care about. Then you'll be in a position to judge the start point of the first complete frame after the first corruption, which will allow you to construct a fancier dd solution to get the remainder of the trajectory from the post-first-corruption fragment. Then trjcat -h to learn how to stitch the parts together. Everybody learn: do (parts of) your analysis while your simulation is running, not after it finishes! :-) Mark -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
