[gmx-users] maximum number of specbonds?

[Soren Wacker]

Hi,

I am parameterizing an artifical ligand. I use small residue-like fragments and connect them with specbonds in a grid, since I need arbitrary shapes and sizes. Now, I ran into segmentation faults, when the grid becomes to large.
Is there an upper limit for the specbonds? How can I fix that or do you see a better way to solve that issue?

Thanks
Soren