[gmx-users] eneconv error

[Andre Farias de Moura]

Ola' Nuno,

I have already tried what you suggested me and got the same
error message. it doesn't seem to be an error associated
with time flags. by the way, t0 is 10 ps because the run
started from a previous 10 ps equilibration run to set the
temperature.

any other hint?

thanks again,

andre'

/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/
    Dr. Andre' Farias de Moura
  Laboratorio de Quimica Teorica
Universidade Federal de Sao Carlos
     Sao Carlos - SP - Brasil
/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/

On Tue, 20 Jul 2004, Nuno R. L. Ferreira wrote:

> 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
>
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