[gmx-users] how to calculate the shear force(ii)

[David van der Spoel]

zzhwise1 wrote:
> hi
>   i didn't say in ditailly about my question in last mail .now i write 
> it again:
>    my system is composed of two monolayers,i keep one still and pull the 
> other one ,and i need to calculated the shear force bettwen them,and the 
> friction force! but i just have the edr file ,no other file,could i get 
> the force from the file?

You can not get forces between groups, only the net force on an atom (in
the trr file) which you can extract using g_traj
and average over groups.

-- 
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://folding.bmc.uu.se
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