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

[xy li]

That's OK.We can make a contact by the e-mail,and mine is lxxy... at 163.com
在2021年4月23日星期五 UTC+8 下午1:04:13<59... at qq.com> 写道：

>
> 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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