[gmx-users] GMX ligand topologies

[Daan van Aalten]

Dear all

the problems with the dihedral multiplicity in PRODRG have been resolved
and the server should now generate topologies that are compatible both
with the old and the new version of Gromacs.

cheers

Daan

On Mon, 17 Oct 2005, David wrote:

> -------- Forwarded Message --------
> From: Wang Zhun <wangzhun76 at gmail.com>
> To: spoel at xray.bmc.uu.se
> Subject: reflecting sphere
> Date: Mon, 29 Aug 2005 18:24:48 +0800
> Hi, Dr Spoel,
> I wonder if a reflecting sphere can be created by Gromacs. In  PNAS
> 2004,101(35):12916-12921, Charmm was used to created a reflecting
> sphere to restrict the interaction simulation between 2 peptide
> chains. Can gromacs do the same job?
> By the way, several posts sent from my email box turned to be
> irregular characters in the mail list. I don't know how this happened,
> because I could receive and read  these my own posts in English in my
> email box.
> Thank you for your help in advance.
>
> Wang Zhun
> --
> David.
> ________________________________________________________________________
> David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
> Dept. of Cell and Molecular Biology, Uppsala University.
> Husargatan 3, Box 596,          75124 Uppsala, Sweden
> phone:  46 18 471 4205          fax: 46 18 511 755
> spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
> ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
>
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##############################################################################
Dr. Daan van Aalten                    Wellcome Trust Senior Fellow / Reader
Wellcome Trust Biocentre, Dow Street   TEL: ++ 44 1382 344979
Div. of Biol.Chem. & Mol.Microbiology  FAX: ++ 44 1382 345764
School of Life Sciences                E-mail: see WWW page
Univ. of Dundee, Dundee DD1 5EH, UK    WWW: http://davapc1.bioch.dundee.ac.uk