[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 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20210319/d55f063b/attachment.htm>

More information about the CP2K-user mailing list