[CP2K-user] Can I call cp2k in some specific steps during all-atom molecular dynamics

[rongpei cui]

I am a new user of cp2k metoo.Can I add a contact information? 
在2021年4月23日星期五 UTC+8 上午10:07:15<lx... at 163.com> 写道：

> Dear cp2k users
> Hi,I am a new user of cp2k.And I'm wondering whether can I select some 
> steps to call cp2k in calculating QM, and in the other steps I still use 
> GROMACS to perform all-atom molecular dynamics.
> Because I may only have interests in the electron quantities in some 
> steps,and performing cp2k calculation may take lots of time.
>
> Thank you so much for your time and I would really appreciate any 
> comments/help on this.
> kind regards
> lxy
>
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