[gmx-users] Re: orientation of helical peptide (Dilraj Lama)

[Guillem Portella]

Hi,

Don't know if it was previously suggested, but I would go for editconf -princ 
to align it along the major axis and editconf -rotate 0 90 0 (or similar) to 
place it perpendicular to the previous one. Maybe you also need to use 
editconf -center in the first place. Keep it easy.

Cheers

On Sunday 11 September 2005 19:57, Santi Esteban Martin wrote:
> Hi Dilraj Lama,
>
> You can also take a look at
>
> http://www.ks.uiuc.edu/Research/vmd/script_library/scripts/orient/
>
> > Dilraj Lama wrote:
> > > hello gmx-users,
> > >                 I have two helical peptide of 16 residues each.I
>
> want to orient these peptides
>
> > > parallel to each other in one case and perpendicular to one
>
> another in another.How
>
> > > can I do this using Gromacs?
> > >
> > > Please suggest.
> > >
> > > Thank you.
>
> Enjoy
>
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-- 
*******************************************************
 Guillem Portella 
 Computational biomolecular dynamics group at the 
 Max Planck Institute for Biophysical Chemistry 
 Am Fassberg 11 
 D-37077 Goettingen -- Germany --
 phone: ++49-551-2012309 
 fax: ++49-551-2012302 
 Email: gportel at gwdg.de 
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