Best way to convert LAMMPS ReaxFF file to CP2K-compatible file?

sall... at ucr.edu sall... at ucr.edu
Wed Aug 30 21:27:51 CEST 2017


Hi!

I'm new to CP2K (and to molecular dynamics in general). I would like to use 
the ReaxFF force field for an MD calculation in CP2K and would like to know 
the best (in terms of ease and efficiency) way to load the ReaxFF 
parameters. 

I have a LAMMPS file, which is attached, so I'm hoping there is a way to 
convert this to one of the CP2K file formats (AMBER, CHARMM, etc.). If not, 
I would also appreciate help with specifying them manually with keywords in 
the input file.

Thanks in advance!
Sarah
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