[gmx-users] QM/MM cpmd

jacopo.sgrignani at unifi.it jacopo.sgrignani at unifi.it
Sun Feb 3 14:29:39 CET 2008

Hi, I'm trying to use the CPMD/GROMACS qm-mm interface but when i try to
run one of the example h20 dimer i can get this error:
Fatal error:
CPMD calculation only supported with CPMD.

Does anybody help me?


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