Carla Jamous wrote:
Hello,
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
file.
Mark
So please can anyone tell me how to check my system's density in gromacs?
Thank you
Carla
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