Re: Retaining conformation

From: Jérôme Hénin (jerome.henin_at_ibpc.fr)
Date: Thu Jul 18 2013 - 06:01:09 CDT

Hi,

You can restrain an RMSD coordinate using the collective variables module.

Cheers,
Jerome

----- Original Message -----
> How would one go about constraining the backbone conformation of a
> peptide to a beta hairpin while still allowing the hairpin to move
> around in solution? I want to investigate how hairpins interact with
> other peptides.
>
>
> Thanks for any input!
>
>
>
>
> ________________________________________________________________
> | Riley Workman |
> | Duquesne University |
> | Dept. of Chemistry and Biochemistry |
> | 320 Mellon Hall |
> | |
> "If at first you don't succeed, try again with slightly different
> parameters."
>
>
>
>
>

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