[gmx-users] trjconv issues
dmobley at gmail.com
Tue Dec 20 21:17:16 CET 2005
Are you sure you wrote all of your steps to your trajectory file? That is,
is the trajectory file really 1x10^6 frames long? For most systems that
would be a HUGE file. In particular, what value are you using for nstxout? I
think by default you will get a pdb file containing all of the frames that
are in the trajectory file you run trjconv on.
On 12/20/05, Michael Bajomo <bajomo at gmail.com> wrote:
> Hiy guys,
> When I used trjconv to convert a 2ns (1,000,000 steps) trajectory file
> (.trj)of a protein in water into pdb format, the pdb file only contains the
> first 12ps. Why is this? Does trjconv have a limit on the filesize it will
> make or the number of steps it will consider? Thanks for all your help.
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