VMD-L Mailing List

From: zoran (zmatovic_at_kg.ac.rs)
Date: Thu Apr 16 2015 - 09:37:42 CDT

Hi Jerome,
Thanks for explanation. Scripting is the second option as I would first try to use original charmm.

Best regards
Zoran

From: Jérôme Hénin
Sent: Thursday, April 16, 2015 4:21 PM
To: zoran
Cc: VMD Mailing List
Subject: Re: vmd-l: Valbond and NAMD

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