Re: What is the different between "periodic boundary ,spherical harmonic boundary and cylindrical harmonic boundary conditions"?

From: Robert Brunner (rbrunner_at_illinois.edu)
Date: Fri Aug 07 2009 - 12:03:50 CDT

Periodic boundary conditions mean that the system is replicated
periodically, so it wraps around on itself, and atoms feel forces do
the images of the system. This is the most common mode.

Spherical boundaries allow you to specify a spherical force field
around you simulation. Atoms that drift into the shell feel a force
opposing them moving further out. Cylindrical boundaries are the same
except the shell is a cylinder.

Most simulations use periodic boundary conditions.

Robert

On Aug 7, 2009, at 11:04 AM, Aurum Bai wrote:

> Hello, everyone
>
> I found there are "periodic boundary","spherical harmonic boundary"
> and "cylindrical harmonic boundary conditions" in namd simulation.
>
> But I do not what are they different?
>
> Who can tell me what are the different between them, or how to
> choose them in some conditions?
>
> Aurum
>
>
>

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:51:20 CST