[gmx-users] AMBER ports available for GROMACS

[Maik Goette]

Thanks Eric...

This will hopefully save lots of my time in the future.
I will soon try and test it...:)

Best regards

Maik Goette, Dipl. Biol.
Max Planck Institute for Biophysical Chemistry
Theoretical & computational biophysics department
Am Fassberg 11
37077 Goettingen
Germany
Tel.  : ++49 551 201 2310
Fax   : ++49 551 201 2302
Email : mgoette[at]mpi-bpc.mpg.de
         mgoette2[at]gwdg.de
WWW   : http://www.mpibpc.gwdg.de/groups/grubmueller/


Eric J. Sorin wrote:
> Hi GROMACS users,
>  
> We finally have distribution quality AMBER ports available for GROMACS 
> v3.1.4 and v3.2.1, including amino and nucleic acid parameters in 
> several AMBER force fields (94/99 and several variants of these).  Do to 
> pdb2gmx functionality, there are several important aspects of using 
> AMBER in GROMACS that need to be understood by the user, and we ask that 
> you please read the documentation of the AMBER ports very carefully and 
> thoroughly before installation and use.  We are working with Erik 
> Lindahl to make pdb2gmx fully compatible with the AMBER potentials and 
> conventions, and hope to have them included in future GROMACS distributions.
>  
> http://folding.stanford.edu/ffamber/
>  
> Enjoy!
>  
>                                   
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