[gmx-users] force.

Nguyen Hoang Phuong phuong at theochem.uni-frankfurt.de
Sat Mar 1 09:48:12 CET 2003


Dear All,

I would like to get the total force acting on each atom for every saved
configurations. I used g_traj. This is exactly the forces computed during
simulation as the derivative of total potential? It is computed
numerically or analytically?

Thanks.

Phuong




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