[gmx-users] Gromacs4.x/CPMD interfaces

[Latévi Max LAWSON DAKU]

Dear Gromacs users,

I'm interested in using the Gromacs/CPMD interface.
Given that this interface was described in the 4.0
manual, I understood that it was available in the
4.x package.

But, I've downloaded the 4.0.5 version, and inspection
of the "configure" script and of the source files in the
"$GMXHOME/src/mdlib" suggests that I actually
misunderstood the current situation...

Could someone please tell me the exact situation. Is the
inclusion of the interface something planned? under work?
Or, did someone succeed in porting the gmx-3.3.1_qmmm-1.3.2
interface to Gromacs4?



Regards,
Max


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Latevi Max LAWSON DAKU
Departement de chimie physique 
Universite de Geneve - Sciences II
30, quai Ernest-Ansermet  
CH-1211 Geneve 4 
Switzerland 

Tel: (41) 22/379 6548 ++ Fax: (41) 22/379 6103
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