[CP2K-user] Can cp2k read gromacs's *.gro and *.top files directly?
汤羽
tangshua... at gmail.com
Fri Mar 19 09:12:45 UTC 2021
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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