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[lammps-users] COM g(r) of Polymer molecular
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[lammps-users] COM g(r) of Polymer molecular


From: Chuanxing Zhan <chuanxingzhan@...16...>
Date: Fri, 13 Apr 2018 16:40:07 +0000 (UTC)

Dear lammps users,
Hello, everyone! I'm trying to compute the g(r) of COM of polymer, the lammps command only compute the g(r) between the atoms. I read previously thread in lammps forum, and what they mentioned is I need to build a script for calculating COM and defined the molecules. I'm wonder anyone have a better way to do the molecular g(r) calculation. Any help would be appreciated.

Thanks !
Kerwin