[gmx-users] QM method or basisset (CPMD) is not implemented

Mahnam mahnam at ibb.ut.ac.ir
Sat Jun 10 15:05:20 CEST 2006


In God We Trust

Hello gmx users
We compiled CPMD  and Gromacs_qmmm and run ethane example , but it says :
Fatal error:
this QM method or basisset (CPMD) is not implemented

What does it mean ? and what must we do?

Thank you very much in advance
Karim Mahnam
Institute of  Biochemistry  and  Biophysics (IBB)
Tehran University 
P.O.box 13145-1384
Tehran 
Iran 
http://www.ibb.ut.ac.ir/
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