[gmx-developers] LINCS broken in CVS?
hessb at mpip-mainz.mpg.de
Mon Jul 4 08:48:41 CEST 2005
Justin MacCallum wrote:
> 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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