PMEGridSize

From: Peter Jones (Peter.Jones-2_at_uts.edu.au)
Date: Fri Oct 10 2003 - 02:08:19 CDT

Hello,

I am trying to find out the relationship between cellBasisVector and
PMEGridSize for PME simulations. I thought that maybe for a periodic
box with sides defined along the x,y,z axes, and a 1 Å grid,
PMEGridSize is set to the nearest integer roundup (or down?) of
cellBasisVector in the corresponding dimension, but after looking at
various config files on your website, I think there's something I'm not
getting. Can you please explain this or direct me to an appropriate
reference?

thankyou,

regards,

Peter.

Peter Jones Ph.D.
Research Fellow
Department of Cell and Molecular Biology
University of Technology Sydney
Westbourne Street
Gore Hill N.S.W. 2065
Australia

Tel: 61-2-95190524
FAX: 61-2-9514 4026
email: Peter.Jones-2_at_uts.edu.a

UTS CRICOS Provider Code: 00099F

DISCLAIMER
========================================================================
This email message and any accompanying attachments may contain
confidential information. If you are not the intended recipient, do not
read, use, disseminate, distribute or copy this message or attachments.
If you have received this message in error, please notify the sender
immediately and delete this message. Any views expressed in this message
are those of the individual sender, except where the sender expressly,
and with authority, states them to be the views the University of
Technology Sydney. Before opening any attachments, please check them for
viruses and defects.
========================================================================

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:37:03 CST