[gmx-users] Force analysis
Nguyen Hoang Phuong
phuong at theochem.uni-frankfurt.de
Wed Jan 25 14:32:35 CET 2006
> I am wondering if there is any way in Gromacs to extract force acting on a
> specific atom or group. Atleast g_energy doesnt support this property. I would
> like to have forces in different directions to be able to calculate friction
> coefficient as a ratio of the friction force and the normal load. One way could
> be saving forces to the trajectory and then extracting those with own code, but
> I would like to have comment if there is other possibilities or if someone has
> already coded this kind of program?
how about g_traj with the option -of?
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