Re: Simulation Using Both NAMD and VMD

From: Axel Kohlmeyer (
Date: Fri Apr 20 2012 - 17:10:30 CDT

On Fri, Apr 20, 2012 at 6:05 PM, Ajith Rathnaweera Rajapaksha Mudalige
<> wrote:
> Hi Everybody,
> Is it possible to write a script for a NAMD simulation to access VMD at each time step through Interactive Molecular Dynamics mode (or any other possible way).

technically yes. in practice no, since that would be highly inefficient.
better to implement what you need into NAMD directly.


> In my simulation I need to execute some VMD commands at each time step and define a new force according to the results output from VMD.
> I highly appreciate if someone could shed some light in this direction.

> Regards,
> Ajith

Dr. Axel Kohlmeyer
College of Science and Technology
Temple University, Philadelphia PA, USA.

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