[gmx-users] Gromacs_qmmm problem
Mahnam
mahnam at ibb.ut.ac.ir
Sun Jun 11 07:31:03 CEST 2006
In God We Trust
Hello dear 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?
we compiled Gromacs in Single precision. Must we compile it double
precision?
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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