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).
and the CPMD code is available at: http://www.cpmd.org
Cheers,
PB.
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