[gmx-users] infinite alpha-helix

Nuno R. L. Ferreira nunolf at ci.uc.pt
Sat Dec 4 10:57:55 CET 2004

Tkx Erik.
I will try to contact Dr. Roux.


----- Original Message ----- 
From: "Eric Jakobsson" <jake at ncsa.uiuc.edu>
To: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
Sent: Saturday, December 04, 2004 4:48 AM
Subject: Re: [gmx-users] infinite alpha-helix

I believe a number of years ago Benoit Roux published a simulation with an
infinite beta-helix (gramidicin-like).  He used CHARMM, but all the issues
would have been the same.

At 10:17 AM 12/2/2004 +0000, you wrote:

> >If a helix as a period of x, than I suppose that the periodic box should
> have
> >multiples of x.
>If the helix is well behaved, probably we could use half of a period,
>don't we?
>Nuno Ricardo Santos Loureiro da Silva Ferreira
>Ph.D student
>Grupo de Química Biológica
>Departamento de Química
>Faculdade de Ciências e Tecnologia
>Universidade de Coimbra
>3004-535 Coimbra
>\" Do not worry about your dificulties in mathematics.
>    I can assure you that mine are still greater.\"
>                                        e=mc2
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Eric Jakobsson, Ph.D.
Professor, Department of Molecular and Integrative Physiology, and of
Senior Research Scientist, National Center for Supercomputing Applications
Professor, Beckman Institute for Advanced Science and Technology
4021 Beckman Institute, mc251
University of Illinois, Urbana, IL 61801
ph. 217-244-2896       fax 217-244-2909
(Currently on leave to the National Institutes of Health in Bethesda,
Maryland, to be Director of the NIGMS Center for Bioinformatics and
Computational Biology and Chair of the NIH Biomedical Information Science
and Technology Initiative Consortium, but maintaining my research lab at
Illinois by periodic commuting.  My usual schedule is four days a week at
NIH and three days a week at Illinois.)

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