[gmx-users] Re: forces from trajectory
francesco.oteri at gmail.com
Sat Oct 9 10:40:31 CEST 2010
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.
> On Thu, Oct 7, 2010 at 2:27 PM, Sikandar Mashayak
> <symashayak at gmail.com <mailto:symashayak at gmail.com>> wrote:
> 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?"
I think you will access to the component along the X-axis acting on atom
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users