Re: User-defined forces in NAMD

From: Ehsan Ban (ehsan.ban_at_gmail.com)
Date: Tue Apr 10 2012 - 11:55:30 CDT

Hi,

If you want to customize things I think it would be much easier to use
LAMMPS.

Bests
EHsan

On Tue, Apr 10, 2012 at 8:16 AM, Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:

>
>
> On Apr 10, 2012, at 7:38 AM, Ali Ghaffaari <ali.ghaffaari_at_gmail.com>
> 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.
>
> Axel
>
>
>
>
> >
> > Thanks a lot,
> > Ali
>
>

This archive was generated by hypermail 2.1.6 : Tue Dec 31 2013 - 23:21:52 CST