Re: AMBER: problems in adding ACE and NME group

From: backy <backy.ibms.sinica.edu.tw>
Date: Thu, 21 Jun 2007 13:45:56 +0800

So, is there any easier way used in capping the terminal regions?

backy





----- Original Message -----
From: "David A. Case" <case.scripps.edu>
To: <amber.scripps.edu>
Sent: Thursday, June 21, 2007 1:10 PM
Subject: Re: AMBER: problems in adding ACE and NME group


> On Thu, Jun 21, 2007, backy wrote:
>
>> If there is a need in placing the whole ACE and NME group, how should I
>> input their initial coordinations?
>
> This is a very rare thing to do, and Amber admitedly doesn't make it very
> easy. It isn't something I would recommend just "for practice".
>
> You might use a homology-modeling program to add alanine at both ends,
> then
> delete the atoms you don't need, and change the residue names to ACE and
> NME.
>
> ....dac
>
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Received on Sun Jun 24 2007 - 06:07:22 PDT
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