I am trying to let's say BH3 imroper force constantsfor Amber force field. Normally scan dihedral angels and obtain values I want. But As far as I know, Gaussian is not capable of using out-of-plane redundant coordinates. So, how can I obtain improper dihedral values for a new force field?
There are tutorials for the parametrization of force fields in the official websites of software such as Amber....
Zhaoxi Sun :
most of them do not work for elements other than GAFF. Interestingly, even Red Server does not work....
Hi Firat,
Sorry, I have Just checked this question. There may be some confusions about my suggestion. i am not referring to antechmaber for ligand or non-standard residues. If I recall, the paramfit tool or something else works for the question. So you may misunderstand my answer. Anyway, the people who asked the question finds a way out.
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