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

[Dan Vanatta]

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
> -------------------------------------------------------

Hi,

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

Best,
Dan