[gmx-users] Rerun error

Mark Abraham mark.j.abraham at gmail.com
Fri Jan 24 17:19:34 CET 2014


So there's nothing in it. Maybe mdrun over-write it according to
Christian's theory, but since we don't know what your commands were, we're
guessing... The extra 30 seconds of copy-pasting your commands from your
terminal would have led to an answer by now!

Mark


On Fri, Jan 24, 2014 at 4:19 PM, Shima Arasteh
<shima_arasteh2001 at yahoo.com>wrote:

> Last frame         -1 time    0.000
>
> # Atoms  -1
> Last frame         -1 time    0.000
>
>
> Item        #frames Timestep (ps)
> Step             0
> Time             0
> Lambda           0
> Coords           0
> Velocities       0
> Forces           0
> Box              0
>
>
>
>
>
> Sincerely,
> Shima
>
>
> ________________________________
> From: Mark Abraham <mark.j.abraham at gmail.com>
> To: Discussion list for GROMACS users <gmx-users at gromacs.org>; Shima
> Arasteh <shima_arasteh2001 at yahoo.com>
> Sent: Friday, January 24, 2014 6:43 PM
> Subject: Re: [gmx-users] Rerun error
>
>
>
> What does gmxcheck say about this files?
>
> Mark
>
>
>
> On Fri, Jan 24, 2014 at 3:49 PM, Shima Arasteh <
> shima_arasteh2001 at yahoo.com> wrote:
>
> Hi,
> >
> >I had a large .trr file, tried to do rerun on it. First I used split
> command and made 10 new .trr files with 2G in size. Then ran rerun on the
> first 2G.trr, but this does not work for the rest of trr files and I get
> the error:
> >The number of atoms in trajectory (-1) doesn't match the input file.
> >
> >Would you please give me any suggestions?
> >Thanks in advance
> >
> >
> >
> >Sincerely,
> >Shima
> >--
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> >
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