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[lammps-users] Restraining a water molecule on interface during simulation
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[lammps-users] Restraining a water molecule on interface during simulation


From: Deepak Ojha <alwaysinthemind@...24...>
Date: Fri, 25 Aug 2017 18:35:14 +0200

Hello
I have preformed an air water interface simulation using lammps. However to analyze the dynamics of
interface I need to restrain atleast one molecule near interface (in a region of 3 angstrom along z axis) during entire simulation.
My system consist of only water. So how should I specify a fixed molecule and fix its dynamics in a two dimensional slab
near interface region.

I would highly appreciate any suggestion.

Best Regards
DeepaK Ojha
School Of Chemistry
University of Hyderabad
"Selfishness is not living as one wishes to live, it is asking others to live as one wishes to live"