[gmx-users] comm-mode = Angular

[Naser, Md Abu]

Hi Tsjerk,


Thanks for  the link. I have been wondering how to select roto-translation option. Is it in the mdp file?

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: Tsjerk Wassenaar
Sent: Wed 26/04/2006 12:05 PM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] comm-mode = Angular


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> 
>  > >  > > > ------------------------------------------------------------------------> > _______________________________________________> gmx-users mailing list    
gmx-users at gromacs.org> 
http://www.gromacs.org/mailman/listinfo/gmx-users> Please don't post (un)subscribe requests to the list. Use the > www interface or send it to 
gmx-users-request at gromacs.org.> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
-- David.________________________________________________________________________David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,Dept. of Cell and Molecular Biology, Uppsala University.
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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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