[gmx-users] comm-mode = Angular

[Tsjerk Wassenaar]

Hi Abu,

In fact, I have it implemented in two versions (3.1.4 and 3.2.1), but
haven't contributed it to the official code yet. At this point I don't have
the time either :S However, you can download my versions at
http://md.chem.rug.nl/~tsjerk/GMX/

Cheers,

Tsjerk

On 4/26/06, Naser, Md Abu <mn2 at hw.ac.uk> wrote:
>
>  Hi Tsjerk,
> I have been wondering whether Andrea Amadei  and coworkers' method (
> J. Chem. Phys. 112(1) pp. 9-23) has been implemented in Gromacs yet.
>
> With regards,
>
>
>  Abu Naser
>
> School Of Life Sciences
> Heriot-Watt University
> Edinburgh EH14 4AS
> Email: mn2 at hw.ac.uk
> Phone: +44(0)1314518265
> Fax : +44(0) 131 451 3009
>
>
>
>
> ------------------------------
> *From:* David van der Spoel
> *Sent:* Tue 25/04/2006 7:32 PM
> *To:* Discussion list for GROMACS users
> *Subject:* Re: [gmx-users] comm-mode = Angular
>
> Naser, Md Abu wrote:
> > Hi All,
> >
> > Dose anyone know any literature regarding comm-mode = Angular option?
> it just sets the overall angular momentum to zero.
>
> > With regards,
> > Abu Naser
> >
> > School Of Life Sciences
> > Heriot-Watt University
> > Edinburgh EH14 4AS
> > Email: mn2 at hw.ac.uk <mailto:mn2 at hw.ac.uk>
> > Phone: +44(0)1314518265
> > Fax : +44(0) 131 451 3009
> >
> >
> >
> >
> >
> >
> > ------------------------------------------------------------------------
> >
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>
> --
> 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
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--

Tsjerk A. Wassenaar, M.Sc.
Groningen Biomolecular Sciences and Biotechnology Institute (GBB)
Dept. of Biophysical Chemistry
University of Groningen
Nijenborgh 4
9747AG Groningen, The Netherlands
+31 50 363 4336
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