Re: zero mass particles in NAMD

From: Jérôme Hénin (
Date: Wed Sep 19 2012 - 08:55:16 CDT

Hi Markus,

I don't know the details of the halogen model, but it sounds like a
kind of Drude model, so this page might be useful:


On 19 September 2012 15:32, Markus Dahlgren <> wrote:
> Hi,
> I want to run NAMD simulations and use halogen bond parameters for the
> OPLSAA force field. Halogen bonding in OPLSAA is treated by having a zero
> mass, positively charged particle bonded to halogen atoms. TIP4P waters have
> a zero mass particle and I was wondering if halogen atoms could be treated
> similarly or is TIP4P hard coded in NAMD? Any insight would be helpful!
> Here is a link to the halogen bonding paper:

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