From: Shubham Mishra (
Date: Mon Feb 01 2016 - 02:25:09 CST

Thank you Axel,

That was a great help. It would be great to know if it is a good idea
create a molecule (nanoparticle) that big for simulation in limited
computer resources. I was hoping to create a hard sphere/soft sphere
simulation of nanoparticle with a monolayer and give it a repulsive
potential in the solvent I am using to reduce the required computation,
since the size of the system has already become too big. Can that be done
in NAMD or LAMMPS? I have already created my solvent box in NAMD. I just
need to create a capped nanoparticle and solvate it.

Thank you.

Shubham Mishra