[gmx-developers] derivative of force.

Nguyen Hoang Phuong phuong at theochem.uni-frankfurt.de
Fri Jun 4 12:41:38 CEST 2004

Dear All,

I would like to calculate the derivative of force df_i/dx_i at every
MD step where f_i is the force acts on the particle i th and x_i its
coordinate. Could you please tell me is there the way to do in GROMACS?

Thanks a lot in advance.


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