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

[Berk Hess]

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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