[AMBER] : error for antecamber to establish small molecule

From: Zhou Gong <zgong.hust.gmail.com>
Date: Thu, 9 Dec 2010 10:33:02 +0800

Hi Mr. Case:
    I use the sleap to add the hydrogen, but another error occurred:
[gtkleap]$ model=loadpdb sam.pdb
basic_string::substr

How can I fix this ?

Thank you

-----ʼԭ-----
: case [mailto:case.biomaps.rutgers.edu]
ʱ: 2010128 23:32
ռ: AMBER Mailing List
: Re: [AMBER] error for antecamber to establish small molecule

On Wed, Dec 08, 2010, Zhou Gong wrote:
>
> I want to use antecamber to establish the small molecule---SAM,
> however, when I input the conmmand

The pdb file needs to have all hydrogens present. You can do this by hand,
or use the "addhydr" command in sleap.

...dac


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Received on Wed Dec 08 2010 - 19:00:02 PST
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