[gmx-users] Rerun error

Shima Arasteh shima_arasteh2001 at yahoo.com
Fri Jan 24 16:34:07 CET 2014


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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