GROMACS version:
GROMACS modification: Yes/No
Hi,
I want to know whether I can use two different types of potentials for a certain bond length, angle, or dihedral. For example, can I use simultaneously both improper and proper potentials for a certain dihedral “ABCD” in my topology file, or will it cause some problems in my calculations?
You can put as many different potentials as you like on any group of atoms in a moleculetype.