RE: [AMBER] question about Amber Tutorial-A1

From: Ross Walker <ross.rosswalker.co.uk>
Date: Fri, 23 Apr 2010 08:04:24 -0700

Hi Rui,

This is a typo in the tutorial caused by using a different set of outputs
when generating the lib file than when creating the image on the webpage.
This is on my list of things to fix once I am done with more pressing work.

In the meantime please just use the charges you calculated during your Resp
fit.

All the best
Ross

> -----Original Message-----
> From: amber-bounces.ambermd.org [mailto:amber-bounces.ambermd.org] On
> Behalf Of Rui Li
> Sent: Friday, April 23, 2010 3:55 AM
> To: amber.ambermd.org
> Subject: [AMBER] question about Amber Tutorial-A1
>
> Dear everyone,
> I am studying amber by the tutorial on Amber web.
> In tutorial A1, I found the charge in fam5.lib(SECTION 3) are not
> consistent with those in floBF-resp.chg(SECTION 1) .
> I don't know why they are different?
>
> Best regards
> Rui
>
>
>
>
>
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> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber


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Received on Fri Apr 23 2010 - 08:30:03 PDT
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