Re: [AMBER] cyclic_peptide

From: Jason Swails <jason.swails.gmail.com>
Date: Thu, 28 Oct 2010 11:58:14 -0400

You will have to pay attention to the error messages that are emitted, and
listen to what they're saying. Simply saying that something "doesn't work"
doesn't help others diagnose what's happening.

By cyclic tri-ALA, I'm assuming you mean ALA-ALA-ALA, where 1 and 3 are
bonded together. You can probably use the "bond" command in leap to combine
the first 3 residues, but it will probably be a strained initial structure.

Perhaps posting your error message, along with the exact commands you tried,
will allow us to help better.

Good luck!
Jason

On Thu, Oct 28, 2010 at 11:50 AM, lara lara <lara.4884.gmail.com> wrote:

> Dear Amber !
>
> I have a doubt regarding the Cyclic peptide !
>
> I have gone through the archive ! I tried building the cyclic ALA
> tripeptide
> I have fused the terminal of the starting and the terminal residue and when
> load this in
> leap I can not build the parameter and the topology !
>
>
> have any one has tried it ?
>
> regards
> lara
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>



-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Thu Oct 28 2010 - 09:00:06 PDT
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