[gmx-users] profiles az a function of z
Mark.Abraham at anu.edu.au
Sat Oct 17 06:43:02 CEST 2009
Paymon Pirzadeh wrote:
> 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.
No, there is no general way to do this. Individual tools might let you
construct various analysis "groups" according to some geometric
criterion, but in general you need to use atomic indices in .ndx files.
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