[gmx-users] g_select help

Deepak Ojha alwaysinthemind at gmail.com
Mon Apr 14 19:07:43 CEST 2014


Dear Gmxers,

I did a simulation of 2048 liquid water and vapour interface using
gromacs.I need to
identify the dynamics of the molecules on the interface for which I am
trying to use g_select
but i am not sure how to go about it.

In principle the box length along z-axis  is 120 A and the interface
beings at 40A. So I would like to do
the dynamics indexing such that all the molecules present in the slice of
thickness 3A along the zaxis
ie  37A-40A are identified at each time step of trajectory.Help in this
regard will be deeply acknowledged.
DeepaK Ojha
School Of Chemistry

"Selfishness is not living as one wishes to live, it is asking others to
live as one wishes to live"


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