Subject: Re: Re: [gmx-users] Gromacs 4 bug?

[patrick fuchs]

Hi Berk,
I tried this fix, but mdrun_mpi is still hanging. I'll try to use the 
debugger by the end of the week and let you know.
Cheers,

Patrick

Berk Hess a écrit :
> Hi,
> 
> My guess is that this is not the problem.
> But it is very easy to try, so please do.
> The diff for src/gmxlib/pbc.c is:
> 392c392,393
> <                 try[d] == 0;
> ---
>  >                 try[d] = 0;
>  >                 pos[d] = 0;
> 
> Berk
> 
>  > Date: Tue, 6 Jan 2009 18:37:20 +0100
>  > From: patrick.fuchs at univ-paris-diderot.fr
>  > To: gmx-users at gromacs.org
>  > Subject: Re: Subject: Re: Re: [gmx-users] Gromacs 4 bug?
>  >
>  > Hi,
>  >
>  > > I also fixed a problem with unitialized variables for pbc calculations
>  > > in trilinic boxes.
>  > > But up till now I have not observed any effect of this bug.
>  > > Is your box triclinic?
>  > Yes it is. So shall I test your corrected version ?
>  >
>  > Patrick
>  >
> 
> 
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Patrick FUCHS
Equipe de Bioinformatique Genomique et Moleculaire
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