Mark.Abraham at anu.edu.au
Thu Jan 14 22:40:25 CET 2010
Carla Jamous wrote:
> I'm experiencing some difficulties with gromacs. In order to control my
> system's density, I have to use g_energy or g_density.
Those tools report density-related quantities, they do not control it.
> However, when I use g_energy, in my list, "Density" doesn't appear.
g_energy doesn't report the density if you have a constant-volume
simulation (but grompp probably reported it when you generated the .tpr)
> Else, if I use g_density, it needs a file traj.xtc which I don't have.
Per Erik's point, you can usually use any coordinate file or trajectory
> So please can anyone tell me how to check my system's density in gromacs?
> Thank you
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