[gmx-users] Density

[Erik Marklund]

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