Re: [AMBER] ff14SBonlysc + OPC3

From: Daniel Roe <>
Date: Mon, 29 Jun 2020 13:54:57 -0400

On Mon, Jun 29, 2020 at 1:03 PM Matias Machado <> wrote:
> An additional curiosity, neither "frcmod.opc3" nor "frcmod.tip3p" have angle definitions, I mean there is no angle at all, not even set to zero!

Note this is by design since TIP3P and OPC are rigid water models.
There is a "bond" between the hydrogens instead of an H-O-H angle.
This just makes it easier to apply the constraints to keep the water


AMBER mailing list
Received on Mon Jun 29 2020 - 11:00:04 PDT
Custom Search