[gmx-users] no forces from g_traj

Oliver Beckstein oliver at bioch.ox.ac.uk
Wed May 8 02:16:02 CEST 2002


> When I try to run the g_traj program using the option "-of", the force.xvg
> file only displays the header but no numerical results are shown.

Did you instruct Gromacs in the mdp file to actually _write_ the forces to
the trr? The option is nstfout and should be > 0, eg

nstfout                  =  1000

Oh, and I think, the forces will only appear in the trr, so you need to
use this as an input to g_traj.

Oli


-- 
Oliver Beckstein * oliver at bioch.ox.ac.uk
 http://indigo1.biop.ox.ac.uk/oliver/




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