[gmx-users] force.

[Erik Lindahl]

The easiest way is to set

nstfout = 100

or whatever frequency you want. This way the forces will be saved in 
the trajectory and you can extract them into clear text with g_traj if 
you want.

These are the true forces calculated in the innerloop.

Cheers,

Erik


On Saturday, Mar 1, 2003, at 00:48 US/Pacific, Nguyen Hoang Phuong 
wrote:

>
> 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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