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

Josip Lovrić josip7... at gmail.com
Fri Mar 19 09:18:33 UTC 2021

In the time, few years ago, when I was trying to do this. There was no
other option than to do it manually.


pet, 19. ožu 2021. u 10:12 汤羽 <tangshua... 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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