[gmx-developers] LINCS broken in CVS?

Justin MacCallum jlmaccal at ucalgary.ca
Sat Jul 2 23:08:30 CEST 2005


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 MacCallum
PhD Student
Departement of Biological Sciences
University of Calgary

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

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