Re: change force field in NAMD

From: Erik Santiso (
Date: Fri Oct 15 2010 - 15:30:04 CDT


Unfortunately, it is not so simple - there isn't a single piece of code
where NAMD calculates the forces. Depending on exactly what you want to
change, it may be relatively simple or may require a major programming
effort (which you may not want to carry out).

The structure and inner workings of NAMD are described in several online
documents, e.g.

I found the one below particularly useful, although it is a bit old:

Maybe you could be a bit more explicit about exactly what you want to


On 10/15/10 10:50 AM, Chen, Zhihong (chenz2) wrote:
> Hi, all
> I am interested in changing
> the functional form of the force field equation in NAMD, as in add or
> remove some terms from the eqn. But i am not sure if namd let me do that or not. I know that i may need to do some programming
> and i'm willing to do that, so i would be very grateful if someone could
> guide me abt how shld i got abt it. Which source file contains the code for
> the eqn? And at what all levels i'll have to make the changes?
> regards,
> jackie

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