Re: Is it possible to print out the force of one specific atom?

From: Michelle Kuttel (
Date: Wed Nov 23 2011 - 08:45:22 CST

Hi Wenhao

I think that the loadtotalforces command in the TclForces module should do that?


Michelle Kuttel
PH: +27 21 6505107

On 23 Nov 2011, at 4:29 PM, Wenhao Liu wrote:

> Hi,
> NAMD solve the Newton's equation for each atoms during the simulation. This means the force must be know in each steps, so can anybody tell me is there any solution or scripts that can be used to get or print out the list of the force of a specific atom during the simulation?
> Thanks a lot.
> Wenhao

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