Re: User-defined forces in NAMD

From: Axel Kohlmeyer (
Date: Tue Apr 10 2012 - 07:16:18 CDT

On Apr 10, 2012, at 7:38 AM, Ali Ghaffaari <> wrote:

> Hello,
> I'm not skilled in MD. I have question about force field using NAMD. As I read in a NAMD documentation, it's using five potential energies: U(bond), U(angle), U(dihedral), U(vdW), and U(Coulomb). I want to simulate a protein by using a custom potential function for each atom rather than these five potential energies. How can I do that? Is it possible by using NAMD? or other MD tools?

To be able to properly do that you *first* have to become experienced in MD. It is not a matter of the tool, but a matter of understanding. Starting a project you don't understand is a recipe for disaster.


> Thanks a lot,
> Ali

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