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
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: [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.
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