[gmx-users] eneconv error

[Nuno R. L. Ferreira]

On Tuesday 20 July 2004 01:37 pm, Andre Farias de Moura wrote:
> Dear all,
>
> I'm trying to concatenate several energy files using eneconv:
>
> eneconv -f out*.edr
>
> but I'm getting this output:
>
> Opened out01.edr as single precision energy file
> Reading frame      0 time   10.000           Segmentation Error
>

What about 
eneconv -f out1.edr out2.edr out3.edr .... -settime 

and choose the correct correct flag. If its a continuos run, type l for all 
edr files except the first one, that will be the 0.000 ps

Regards,
Nuno

P.S. BTW, the frame 0 corresponds to time 10 ps in your run? It seems that the 
problem is with the linkage between files, so do use the -settime flag. You 
could also try :  eneconv -f out*.edr -settime

> I checked edr files using both gmxcheck and gmxdump and they seem
> to be ok. even if I ask only one energy file to be read and writen
> with another name I still get the same error message and an empty
> fixed.edr file, no matter which edr file I choose as input or
> which options I set to eneconv.
>
> I'm runnig version 3.2.1 on P4/redhat 9.0
>
> any clue to what is going on?
>
> thanks in advance,
>
> andre'
>

-- 
**********************************************
Nuno Ricardo Santos Loureiro da Silva Ferreira
Grupo de Química Biológica 
Departamento Química
Universidade de Coimbra
Portugal
www.biolchem.qui.uc.pt
**********************************************
"Do not worry about your difficulties in maths.
 I can assure you that mine are still greater."
                                   emc2