AMBER Archive (2007)

Subject: Re: AMBER: experimental phi-values as restraints

From: Vladimir Tchoupakhine (chupvl_at_gmail.com)
Date: Wed Jan 10 2007 - 10:23:58 CST

I think you should use additional mask with amber calculation

On 1/10/07, rebeca_at_mmb.pcb.ub.es <rebeca_at_mmb.pcb.ub.es> wrote:
>
> Dear AMBER users,
> I have to use experimental phi-values as restraints in a molecular
> dynamics
> simulation to determine a ensemble of structures representing the
> transition
> state of a protein folding, and I don´t know how to start. Has anybody
> done
> something related to that? Does anybody know where could I find a tutorial
> of
> this subject?
> Any help would be wellcome!
> Thanks a lot in advance. Best wishes,
>
> Rebeca García
> Post-doctoral student
> Parc Cientifi Barcelona
> Spain
> rebeca_at_mmb.pcb.ub.es
>
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