[gmx-users] extracting data for individual particles

Mark Abraham Mark.Abraham at anu.edu.au
Tue Feb 23 03:32:13 CET 2010

On 23/02/2010 1:03 PM, Paymon Pirzadeh wrote:
> Hello,
> I have a run with the xtc, trr and edr files available. I would like to
> color a snapshot of my system with respect to rmsd or potential energy
> of my particles. How can I extract the potential energy, rmsd or any
> other needed data from the files available? Is there a specific GROMACS
> command that I can use?

Many. See manual section 7.4 for a brief description of them. To get 
more info about a specific command use "man g_energy" or "g_energy -h".


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