[gmx-developers] LINCS broken in CVS?

[Justin MacCallum]

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.

Justin

--------------------------
Justin MacCallum
PhD Student
Departement of Biological Sciences
University of Calgary

email: jlmaccal at ucalgary.ca
web: moose.bio.ucalgary.ca

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