Dear All,
I have a question regarding the angle parameters in ligand .itp files.
Is it possible to define an angle using three atoms that are far apart from each other (i.e., not directly connected through bonds)?
I came across such an angle in a force field file for a porphyrin, and it caught my attention by accident. I am wondering why GROMACS did not produce any error or warning during the simulation setup or execution. Could you explain how this is handled and whether such a definition is valid?