1 D Periodic Boundary

From: Xiongce Zhao (zhaox_at_ornl.gov)
Date: Tue Feb 15 2005 - 14:43:42 CST

Dear All,

Any one can hint me how to set a 1 D PBC in NAMD? For example, I want to
turn on PBC only on z direction, with side of box in z direction 50 A, I
use following

cellBasisVector1 0 0 0
cellBasisVector2 0 0 0
cellBasisVector3 0 0 50

This doesnot seem work. am I missing something?

Thank you!

Xiongce

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 05:18:36 CST