Pressure tensor and periodic boundary condition

From: Gan, Yong \(UMC-Student\) (yg8p2_at_mizzou.edu)
Date: Mon Feb 21 2005 - 21:40:58 CST

• Next message: Marc Q. Ma: "cellOrigin"
• Previous message: Jérôme Hénin: "Re: writeback periodic cell info in dcd output"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

Hello, NAMD users:

I have 2 questions.

1. How to get the pressure tensor of the whole simulated system?

2. How to apply the periodic boundary condition in designated directions (for example, only in y and z directions, or only in z direction)?

Thanks a lot!

Yong

• Next message: Marc Q. Ma: "cellOrigin"
• Previous message: Jérôme Hénin: "Re: writeback periodic cell info in dcd output"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:39:10 CST