[gmx-users] another qm/mm interface (using ase)

Markus Kaukonen markus.kaukonen at iki.fi
Sat Jan 19 18:51:52 CET 2013

Dear All,

I made a qm/mm implementation using gromacs as mm part.
Qm part can be in principle any qm method (now only FHI-aims implemented).
There can be more than one QM regions.


terveisin, Markus

--Markus.Kaukonen at iki.fi
--office: Karjaan lukio
--home: Viinirinne 3 F 12, 02630 Espoo, FIN
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