[gmx-users] maximum number of specbonds?
swacker at ucalgary.ca
Thu Jun 19 18:21:24 CEST 2014
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?
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