[CP2K-user] The bond and bend parameters of MM in CP2K

[Marcella Iannuzzi]

Dear Junbo

In order to add bond and bend terms to the force field a connectivity file 
is needed where the topology of the molecular system is defined. 
Kind regards
Marcella

On Tuesday, November 10, 2020 at 1:39:28 PM UTC+1 lu... at gmail.com wrote:

> Hi,
>   I try to add bond and bend parameters in MM calculations. But I find 
> that CP2K can not read the input bond and bend parameters. As a test, I 
> turn off the L-J and charge parameter, and I find that the MM energy for 
> each MD step is zero. I am confused with this. The attached files are my 
> input file and coordinates file. Could anyone give me a help? I really 
> appreciate it!
>   With my best regards,
>   Junbo
>
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