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


From: Ray Shan <rshan@...1795...>
Date: Mon, 21 Aug 2017 16:51:29 +0000

Nobody would likely provide you with an input script with detailed descriptions of the commands.  Start with a ReaxFF example and read the doc page of each of the commands.


Ray


On Aug 21, 2017, at 06:33, Praveen Kumar <pravink068@...24...> wrote:

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
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