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Re: [lammps-users] (no subject)


From: Anders Hafreager <andershaf@...24...>
Date: Sat, 26 May 2018 12:55:56 +0200

You probably need to use atom_style charge if you want atoms to have charges.

http://lammps.sandia.gov/doc/atom_style.html

Anders

On Sat, May 26, 2018 at 9:38 AM, Mohd Riyaz <riyazpu@...24...> wrote:
dear all

Can anyone tell me how to assign the partial charge for each atom in a hetero atomic system? Actually i need to introduce the charge column in the coordinate file, so i can use the 'set' command in lammps to assign charge for each atom type..otherwise it says "incorrect atom format in data file" when i use the  command(set atom 1 charge 0.43) without the charge column in data file ... 

thanku

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