Re: How to Get Bonded Pair Force Calculation with NAMD

From: Ehsan Ban (ehsan.ban_at_gmail.com)
Date: Tue Mar 27 2012 - 09:01:04 CDT

Hi Dear Norman,

Thank you for your response. Do you mean the module tclforces scripting
interface for NAMD?

In using the tclforces scripting interface with NAMD I can find the total
force on an atom by using the command: loadtotalforces
This is not exactly what I'm looking for. I want to find the force between
a pair of atoms.

Thanks
Regards
Ehsan

On Tue, Mar 27, 2012 at 2:16 AM, Norman Geist <
norman.geist_at_uni-greifswald.de> wrote:

> Hi,****
>
> ** **
>
> I think maybe with the tclforces plugin.****
>
> ** **
>
> Norman Geist.****
>
> ** **
>
> *Von:* owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] *Im
> Auftrag von *Ehsan Ban
> *Gesendet:* Montag, 26. März 2012 14:41
> *An:* namd-l_at_ks.uiuc.edu
> *Betreff:* namd-l: How to Get Bonded Pair Force Calculation with NAMD****
>
> ** **
>
> Hi Dear All,****
>
> ** **
>
> I want to calculate the bonded force between a pair of atoms in a system.
> Is there some way to do that with NAMD?****
>
> ** **
>
> Thanks****
>
> Regards****
>
> Ehsan****
>

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