How to output polymer structure and related force field
after REACTER simulation ?
How about write_data?
Thanks for reply, it works, but the output datafile not include bond coeffs, angle coeffs et al, I needs write coefffs information from original data file.
Sorry, but that doesn’t make any sense, unless you are doing something bad in the input.
the output data file including type label infomation including atom type, bond type, angle type et al,
the written bond coffes, angle coeffs et al are consitent with above type in output data file.