[CP2K-user] [CP2K:14969] Re: Can cp2k read gromacs's *.gro and *.top files directly?

[高奋娥]

Hi Josip,

Thank you for your advice.
 
Fen'e

在2021年3月19日星期五 UTC+8 下午5:17:12<jos... at gmail.com> 写道：

> In the time, few years ago, when I was trying to do this. There was no 
> other option than to do it manually.
>
> Josip
>
> pet, 19. ožu 2021. u 10:12 汤羽 <tang... at gmail.com> napisao je:
>
>> Maybe you can use Multiwfn to creat an input file for cp2k.
>>
>> 在2021年3月19日星期五 UTC+8 下午3:20:50<11... at qq.com> 写道：
>>
>>> Dear cp2k users,
>>>
>>> I am a new user of cp2k.  I would like to use cp2k to calculate an 
>>> example of gromacs. Now I have the *.gro and *.top files of gromacs. Can I 
>>> use CP2K to read GMX's *.gro and *.top files directly? If possible, can 
>>> someone tell me how to use CP2K to read the files directly?
>>>
>>> Thanks in advance, 
>>>
>>> Fen‘e Gao 
>>>
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