Dear AMBER community,
I’m running simulations where there are two proteins in the simulation box and I need to prevent them from getting close enough to interact. Is there a way to restrain the minimum distance between any pair of atoms for the two proteins?
I’ve tried all sorts of restraints (e.g., fixing the X-, Y-, and Z-components of the centers of mass), but somehow the minimum distance always gets smaller.
Best,
Matthew
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Received on Mon Oct 24 2022 - 21:30:03 PDT
