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

高奋娥 11408... at qq.com
Fri Mar 19 07:20:50 UTC 2021


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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