the QM/MM MD project
jiangni... at gmail.com
Fri Mar 3 03:43:03 CET 2017
thanks for your help
On Thursday, March 2, 2017 at 6:26:23 PM UTC+8, Marcella Iannuzzi wrote:
> there is no CPMD in cp2k, but there are many examples to run BOMD with
> You can find them among the tests and in the tutorials and exercises
> provided on cp2k.org.
> On Thursday, March 2, 2017 at 10:15:05 AM UTC+1, ning jiang wrote:
>> 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.
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