Hi all,
Quick question: in some of our models, the list of position restraints
as part of the permanent topology is created externally, based on the
atomic positions. Unfortunately, there is a slight bug in the restraint
generator and for a small portion of the restrained atoms the statements
are duplicated, i.e. there can be two identical statements for something
like four atoms out of ~200. Does grompp interpret a duplicate as
restraint with twice the force constants, is it ignored? In other words,
are duplicates additive?
Thanks,
Alex
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