[gmx-users] Re: forces from trajectory

[Francesco Oteri]

  Il 08/10/2010 18:29, Sikandar Mashayak ha scritto:
>
> Could anyone please clarify on my previous question? I am very 
> confused about the force value issue.
>
> thanks
> sikandar
> On Thu, Oct 7, 2010 at 2:27 PM, Sikandar Mashayak 
> <symashayak at gmail.com <mailto: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
>
>
I think you will access to the component along the X-axis acting on atom 
"indx_atm"
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