VMD-L Mailing List

From: Jérôme Hénin (jerome.henin_at_ibpc.fr)
Date: Thu Apr 16 2015 - 09:21:25 CDT

Hi Zoran,

The Valbond energy terms are not implemented in NAMD, but if there are few
of them in your system and you are not afraid of doing some scripting, you
could implement them as scripted biasing potentials on collective
variables. It really depends on how complicated the algebra gets.

Best,
Jerome

On 16 April 2015 at 14:11, zoran <zmatovic_at_kg.ac.rs> wrote:

>
> Dear All,
> I wonder is it possible to run Valbond force field along with charmm prm
> file within NAMD (or it is exclusive bonded to CHARMM package)? It would
> ease my frustrating effort looking for PdN2O2 parameters.
>
> Have a very nice day
>
> Regards
> Zoran
>