[gmx-users] comm-mode = Angular

[Jochen Hub]

Naser, Md Abu wrote:

> Hi All,
>  
> Dose anyone know any literature regarding comm-mode = Angular option?

This works,however, only with simulations in vacuum. In a water box you 
get overlaps at the box boundaries from angular rotations done by the 
"comm-mode = Angular" option resulting in lincs warnings...

cheers, jochen

>
> 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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-- 
************************************************
Jochen Hub
Max Planck Institute for Biophysical Chemistry
Computational biomolecular dynamics group
Am Fassberg 11
D-37077 Goettingen, Germany
Email: jhub[at]gwdg.de
************************************************