[gmx-users] profiles az a function of z

[Paymon Pirzadeh]

Well, the main purpose is to average the energy or any desired property
along any desired coordinate axis. simple binning of the box will do the
job, but I was wondering if this can be done in general with gromacs
post simulation tools.

Payman


On Fri, 2009-10-16 at 16:05 -0400, Justin A. Lemkul wrote:
> 
> Paymon Pirzadeh wrote:
> > Hello,
> > In a simulation, how is it possible to extract the profiles e.g.
> > potential as a function of z (coordinate axis of box)?
> > 
> 
> g_potential can do this for electrostatic potential, but I don't know about 
> anything else.  I don't think it is a trivial question to decompose the 
> potential of the entire system along any axis.
> 
> -Justin
> 
> > Payman
> > 
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