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 <[EMAIL PROTECTED]> 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 NaserSchool Of Life SciencesHeriot-Watt UniversityEdinburgh EH14 4ASEmail: [EMAIL PROTECTED]Phone: +44(0)1314518265Fax : +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 = AngularNaser, 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: [EMAIL PROTECTED] <mailto:[EMAIL PROTECTED]>
> 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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++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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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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