[gmx-users] distance restraint between 2 molecules

HongTham hongtham0709 at gmail.com
Wed Apr 27 08:17:59 CEST 2016

Hi Gromacs users,
I want to assign a distance restraint between 2 atom, one belongs to
protein and one belongs to ligand. I have a .top file for protein and
include .itp of ligand. However, it seem Gromacs only perform distance
restraint between 2 atom within same molecule.
except the merging two molecules into a single moleculetype, is there any
option that i can keep protein and ligand itp files seperately?

Thank you so much.

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