[gmx-users] comm-mode = Angular

[Naser, Md Abu]

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.
________________________________________________________________________
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