Simulation Box Deformation

From: John Doe (helstreak_at_hotmail.com)
Date: Mon Dec 03 2012 - 15:51:57 CST

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Hello Users,

I am wondering if it is possible to deform the simulation box in order to calculate uniaxel stress, either in compression or tension, and output the pressure on the walls of the simulation box? If so, what part of the documentation should I look to figure this out? This is to calculate mechanical response of a new water model.

Thanks.
                                               

• Next message: DAI, JIAN: "What's the difference between upperboundary and upperwall?"
• Previous message: Liqun Zhang: "Re: about long namd trajectory and pbc effect"
• Next in thread: Norman Geist: "AW: Simulation Box Deformation"
• Reply: Norman Geist: "AW: Simulation Box Deformation"
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