AMBER Archive (2009)
Subject: Re: [AMBER] A confusion about tutorial B1

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Tue May 05 2009 - 05:11:43 CDT

Previous message: Carlos Simmerling: "Re: [AMBER] Problem in production run"
In reply to: Houyang Chen: "[AMBER] A confusion about tutorial B1"
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a truncated octahedron is the closest to a sphere but can still be a crystal
lattice cell.

2009/5/5 Houyang Chen <houyangchen2008_at_hotmail.com>

>
>
> Hi, Amber User,
> I am confused that why set up a truncated octahedral box, not a rectangular
> box, to run
> minimization and MD (in implicit solvent) in tutorial B1 (
> http://ambermd.org/tutorials/basic/tutorial1/)?
>
>
> Thanks & Best wishes,
>
> ----------------------------------------------------------------
> Houyang Chen
>
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Previous message: Carlos Simmerling: "Re: [AMBER] Problem in production run"
In reply to: Houyang Chen: "[AMBER] A confusion about tutorial B1"
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