[gmx-users] how to do force analysis using trajectory file?

[David van der Spoel]

On Mon, 2004-07-12 at 23:19, Rui Qiao wrote:
> Dear Gromacs users:
> 
>    I am interested in analyzing the force acting on
> some atoms in my system. I have already got the
> trajectory of the system. Is there a tool in Gromacs
> that read in the trajectory and compute the force
> acting on each atoms?
If you have saved the forces then g_traj could do it maybe, or otherwise
it could easily be adapted to do it. Otherwise you have to rerun the
simulation...
> 
>    Thanks a lot.
> 
>    sincerely,
> 
>    Rui
> 
> 
> 	
> 		
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone:  +46 18 471 4205  fax: +46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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