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
<symasha...@gmail.com <mailto:symasha...@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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