PBC only along the z axis.

From: Sridhar Kumar Kannam (srisriphy_at_gmail.com)
Date: Thu Jan 02 2014 - 21:46:58 CST

• Next message: Subbarao Kanchi: "Re: PBC only along the z axis."
• Previous message: Phil Miller: "Re: About Tcl8.3 error in namd2.8"
• Next in thread: Subbarao Kanchi: "Re: PBC only along the z axis."
• Reply: Subbarao Kanchi: "Re: PBC only along the z axis."
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

Hi All,

This is a trivial question but I am unable to solve.
I have a fluid confined inside a nanotube. I want to apply the PBC only
along the Z-axiz to simulate an infinitely long tube. I don't want to apply
PBC along the X and Y directions. How do I do this using the cell basis
vectors ...

The following lines are giving the error message -
FATAL ERROR: Used cellBasisVector3 without cellBasisVector1!
FATAL ERROR: Used cellBasisVector3 without cellBasisVector2!

cellBasisVector1 0.0 0.0 0.0
cellBasisVector2 0.0 0.0 0.0
cellBasisVector3 0.0 0.0 100.0
cellOrigin 0.0 0.0 0.0

Thanks.

-- 
Cheers !!!
Sridhar  Kumar Kannam :)

• Next message: Subbarao Kanchi: "Re: PBC only along the z axis."
• Previous message: Phil Miller: "Re: About Tcl8.3 error in namd2.8"
• Next in thread: Subbarao Kanchi: "Re: PBC only along the z axis."
• Reply: Subbarao Kanchi: "Re: PBC only along the z axis."
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Thu Dec 31 2015 - 23:20:23 CST