[gmx-developers] LINCS broken in CVS?

Berk Hess hessb at mpip-mainz.mpg.de
Mon Jul 4 08:48:41 CEST 2005

Justin MacCallum wrote:

> Hi,
> I'm currently working on implementing a parallel version of the 
> Adaptive Force Bias method in GROMACS. In my testing I've noticed that 
> LINCS and shake seem to be broken in the current CVS. When I take a 
> topology that worked with 3.2.1 and re-run grompp and mdrun with CVS I 
> get lincs errors. According to the output it appears that LINCS thinks 
> the constraint length is zero, despite the fact that gmxdump gives the 
> correct distances.

I have changed a lot of stuff in Lincs lately.
But the CVS code always works for me.

Could you send me the tpr file?


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