Re: [AMBER-Developers] Amber test concerns

From: B. Lachele Foley <lfoley.uga.edu>
Date: Thu, 20 Jan 2011 14:38:46 +0000

It might be worthwhile adding another example to the manual. How far past the deadline is it? (that is... how long do I have?) I'm wicked busy until about mid Feb, but this is an easy fix.

:-) Lachele

Dr. B. Lachele Foley
Complex Carbohydrate Research Center
The University of Georgia
Athens, GA USA
lfoley.uga.edu
http://glycam.ccrc.uga.edu

________________________________________
From: case [case.biomaps.rutgers.edu]
Sent: Thursday, January 20, 2011 8:13 AM
To: AMBER Developers Mailing List
Subject: Re: [AMBER-Developers] Amber test concerns

On Thu, Jan 20, 2011, B. Lachele Foley wrote:
>
> The leap input file says to do this:
>
> n = sequence { 6LB VLB VLB 3GB 0GB }
> b = sequence { 3LB 0GB }
> set n tail n.2.O6
> n = sequence { n b }
>
> The trouble is that...

> Here is a safer way to do it:

Thanks for figuring this out...would it be worthwhile to inlcude this example,
or one like it, in the Users' Manual?

...dave


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Received on Thu Jan 20 2011 - 07:00:04 PST
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