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

David van der Spoel spoel at xray.bmc.uu.se
Tue Oct 17 11:56:45 CEST 2006

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 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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