[gmx-users] Energy of each composition

Mark Abraham Mark.Abraham at anu.edu.au
Sat Oct 13 17:48:47 CEST 2007

chiloo Laohpongspaisan wrote:
> Dear all,
> Is there a tool of Gromacs extracing the energy of some composition in 
> the system?
> For example, there are protein, lipid , and water in my system, how can 
> i investigate the energy of protein along the time?

Search for energy groups in the manual. Before you do this, you might 
like to consider what you think such an energy profile will tell you.


More information about the gromacs.org_gmx-users mailing list