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From: Mohd Riyaz <riyazpu@...24...>
Date: Sat, 26 May 2018 13:08:25 +0530

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 ...