Dear all,
I have some problems using Avogadro. I was doing some calculus of metal-organic complexes and I saw that the energy was too high specially due to Van der Waals. I saw that the problem is in aromatic systems so I tried with the benzene and I have the same problem: a too high energy caused by Van der Waals effects. All these calculus I have done it with UFF but I tried MMFF94 and there is also the problem… Does anyone know how to solve this?
Moreover, I observed that if you have two benzenes bonded, in UFF the two rings remain in the same plane. Is this normal? In my opinion they should be in different planes.
Thank you very much.