[gmx-users] Density

Erik Marklund erikm at xray.bmc.uu.se
Thu Jan 14 16:00:34 CET 2010

Carla Jamous skrev:
> 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.
> However, when I use g_energy, in my list, "Density" doesn't appear.
> Else, if I use g_density, it needs a file traj.xtc which I don't have.
> So please can anyone tell me how to check my system's density in gromacs?
> Thank you
> Carla
Actually, the required input is:
Option     Filename  Type         Description
  -f       traj.xtc  Input        Trajectory: xtc trr trj gro g96 pdb cpt

So, if you have a representation of your system in any of the formats 
listed under description, then you're good.

Erik Marklund, PhD student
Laboratory of Molecular Biophysics,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,    75124 Uppsala, Sweden
phone:    +46 18 471 4537        fax: +46 18 511 755
erikm at xray.bmc.uu.se    http://xray.bmc.uu.se/molbiophys

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