the QM/MM MD project

ning jiang jiangni... at
Thu Mar 2 09:15:31 UTC 2017

Dear ALL

Some people know how to do QM/MM MD in cp2k ? I know that the CPMD can do 
CPMD/MM calculation, but there is not clear example input for it.


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <>

More information about the CP2K-user mailing list