[gmx-users] QM/MM cpmd

Marius Retegan marius.s.retegan at gmail.com
Mon Feb 4 13:12:02 CET 2008

Please give us more detail about your problem. Try posting the input files
for you calculation.
Did you test the to programs independently?

On Feb 3, 2008 2:29 PM, <jacopo.sgrignani at unifi.it> wrote:

> 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?
> thanks
> Jacopo
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