[gmx-users] Gromacs_qmmm problem
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 :
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
Thank you very much in advance
Institute of Biochemistry and Biophysics (IBB)
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users