[gmx-users] Re: forces from trajectory

Sikandar Mashayak symashayak at gmail.com
Fri Oct 8 18:29:02 CEST 2010

Could anyone please clarify on my previous question? I am very confused
about the force value issue.

On Thu, Oct 7, 2010 at 2:27 PM, Sikandar Mashayak <symashayak at gmail.com>wrote:

> Hi
> In the post-processing ( analysis) code using gromacs trajectory, I access
> force values on atom using fr.x[indx_atm][XX]. The confusion I have is that
> " what force is it? is it the force before constraints ( fixed bonds) are
> applied or is it the effective force due to atom-atom interactions plus any
> constraints?"
> thanks
> sikandar
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