[gmx-users] QM/MM Compatible CPMD-3.11.1 Released!

Florian Haberl Florian.Haberl at chemie.uni-erlangen.de
Tue Apr 4 09:20:10 CEST 2006


On Monday 03 April 2006 22:54, Pradip Kumar Biswas wrote:
> Hello Gmxers,
> This is to inform you that the CPMD code which is now
> compatible to do QM/MM with Gromacs (as the driver )
> is released and is available for free subject to a license
> agreement with the CPMD developers.
> The QM/MM modified gromacs code is available at:
> http://comppsi.csuohio.edu/groups/qmmm.html
> (We have posted an example of qm/mm with P450 heme
> and additional examples will be uploaded soon).

the example download gives me a 404 error


> and the CPMD code is available at: http://www.cpmd.org
> Cheers,
> PB.
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 Florian Haberl                        
 Universitaet Erlangen/ Nuernberg
 Naegelsbachstr 25
 D-91052 Erlangen
 Mailto: florian.haberl AT chemie.uni-erlangen.de
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