[gmx-developers] Re: bug in h-bond constraints for shake?

Dan Vanatta dvanatta at stanford.edu
Wed Feb 2 23:16:10 CET 2011

Michael Shirts <mrshirts <at> gmail.com> writes:

> -------------------------------------------------------
> Program mdrun, VERSION 4.0.99_development_20090927
> Source code file: invblock.c, line: 79
> Fatal error:
> Double entries in block structure. Item 35 is in blocks 1 and 0
>  Cannot make an unambiguous inverse block.
> For more information and tips for trouble shooting please check the
> GROMACS website at
> http://www.gromacs.org/Documentation/Errors
> -------------------------------------------------------


I'm still running into this issue using gromacs 4.5.2, did anyone ever figure
out why this was happening?


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