[gmx-users] g_traj + g_analyze and core dumped error

[gozde ergin]

Also I did the same calculation for only one atom and did not get any error.


On Wed, Sep 16, 2015 at 4:39 PM, gozde ergin <gozdeeergin at gmail.com> wrote:

> Dear gromacs users;
>
> I am trying to estimate the force-force auto correlation function.
> To do that first I run the command of :
>
>  'g_traj -f tra.trr -s topol.tpr -of force.xvg'
>
> My force.xvg file covers for all atoms in simulation box which I have 9566
> atoms.
> Than I run the command of :
>
> 'g_analyze -f force.xvg -ac autocorr.xvg'
>
> however I get the error of core dumped. Here is some snapshot from screen.
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> *File force.xvg does not end with a newline, ignoring the last lineFile
> force.xvg does not end with a newline, ignoring the last lineFile force.xvg
> does not end with a newline, ignoring the last lineFile force.xvg does not
> end with a newline, ignoring the last lineInvalid line in
> force.xvg:....................Using zeros for the last 7819 sets.*
>
>
> What could be the reason of this error?
> I have enough free space and I am using gromacs 4.6.6
>
> bests
>