Reaxff of water

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1

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,

2

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