Dear gromacs users,
I've been using gromacs to run a simulation of a protein with a cofactor and a
ligand. i had a problem while running the simulation; the cofactor, ligand and
the substrate molecule were spaced away from the protein in the solvent box.,
thereby creating literally zero interaction energy.
How do I solve this problem and place all the molecules together in the solvent
box?
Thanking you,.
Anand.
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