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[lammps-users] Reaxff of water
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[lammps-users] Reaxff of water


From: Praveen Kumar <pravink068@...24...>
Date: Mon, 21 Aug 2017 19:02:49 +0530

Hi,

I am a new user of Lammps and wants to perform MD simulation of water using reactive force field (ReaxFF). Can somebody provide me the input file (with the command details) for water simulation?

It will be a great help for me to proceed further in my projects.

Regards,
PRAVEEN KUMAR
Research scholar
INDIAN INSTITUTE OF SCIENCE
EDUCATION AND RESEARCH PUNE