Re: force constant matrix

From: JC Gumbart (gumbart_at_ks.uiuc.edu)
Date: Thu Nov 01 2007 - 16:03:21 CDT

It sounds like what you want is something more akin to normal mode
analysis, where the interactions between the atoms (usually just c-
alphas) is modeled by a network of springs. There's nothing like
this built into namd though, unfortunately.

If you can be more specific about why you want to do this analysis,
someone might be able to suggest other programs/websites that can help.

On Nov 1, 2007, at 8:29 AM, Ahlam Al-Rawi wrote:

> Dear all,
>
> How I can calculate the force constant matrix using NAMD?Is there
> any script that I can use?
> Thanks
>
> Ahlam

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