Is it possible to assign charge in LAMMPS

Dear All

I want to assign charge in individual atom of a polymer contain around 122 atoms. Is it possible to assign charge during simulation in LAMMPS?

Thanks in advance

Anderson

Dear All

I want to assign charge in individual atom of a polymer contain around
122 atoms. Is it possible to assign charge during simulation in LAMMPS?

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

Dear Axel

Thank you for your comments

In the set command might be I could insert the charge value for a particular atom types? However, If I dont know the charge value then is it possible to calculate and assign it during simulation? Actually in my polymer the charge is very much fluctuated atom to atom. Therefore, if I want to assign the charge by considering atom type then I could consider several types of atom and I also have several number of polymer in my system.

Thanks in advance

Anderson

Dear Axel

Thank you for your comments

In the set command might be I could insert the charge value for a
particular atom types? However, If I dont know the charge value then is it
possible to calculate and assign it during simulation? Actually in my
polymer the charge is very much fluctuated atom to atom. Therefore, if I
want to assign the charge by considering atom type then I could consider
several types of atom and I also have several number of polymer in my
system.

​how about you _first_ read the documentation of the set command properly
and carefully, and _then_ ask questions about specific details given in
there?
even for a fast reader and LAMMPS expert it is impossible to read the
entire pages, understand it and write an e-mail reply in under 10 minutes...

​axel.​

Dear Axel

Thank you for your comments. Actually I have used the set command previously. However, I have solved the problem. Now its OK

Thank you

Anderson