[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 
Thank you very much in advance
Karim Mahnam
Institute of  Biochemistry  and  Biophysics (IBB)
Tehran University 
P.O.box 13145-1384
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20060611/d80c8419/attachment.html>

More information about the gromacs.org_gmx-users mailing list