Re: [AMBER] Adding a ROH to a oligosaccharide

From: Lachele Foley (Lists) <"Lachele>
Date: Wed, 5 Sep 2012 16:24:52 -0400

Oh... yes... Dave is right. You need to change the pdb file. :-)


On Wed, Sep 5, 2012 at 4:15 PM, David A Case <case.biomaps.rutgers.edu> wrote:
> On Wed, Sep 05, 2012, Pedro Swagger wrote:
>
>> X = loadpdb glycam.pdb
>> N = sequence { ROH X }
>
> Just to expand (I hope correctly!) on what Lachele suggested: what you
> want to do with fiddle with "glycam.pdb" until leap is happy with it [see
> Lachele's email for good advice on this]; then just do a "saveamberparm X
> ....". The sequence command above should not be needed.
>
> ....dac
>
>
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-- 
:-) Lachele
Lachele Foley
CCRC/UGA
Athens, GA USA
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Received on Wed Sep 05 2012 - 13:30:03 PDT
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