Can I define a simulation box but turn off the PBC at the same time?

From: 赵丽娜 (linazhao_at_ihep.ac.cn)
Date: Thu May 09 2013 - 03:49:48 CDT

• Next message: Yarrow Madrona: "Re: restart files not written."
• Previous message: Aron Broom: "Re: restart files not written."
• Next in thread: Norman Geist: "AW: Can I define a simulation box but turn off the PBC at the same time?"
• Reply: Norman Geist: "AW: Can I define a simulation box but turn off the PBC at the same time?"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

Dear all,

    Can I simulate a SMD system in a defined rectangular parallelepiped box, but turn off the periodic boundary condition? How to realize this function using NAMD?

    Thank you for your help and suggestions in advanced!

Best regards,

Lina

• Next message: Yarrow Madrona: "Re: restart files not written."
• Previous message: Aron Broom: "Re: restart files not written."
• Next in thread: Norman Geist: "AW: Can I define a simulation box but turn off the PBC at the same time?"
• Reply: Norman Geist: "AW: Can I define a simulation box but turn off the PBC at the same time?"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Wed Dec 31 2014 - 23:21:11 CST