|From:||Ray Shan <rshan@...1795...>|
|Date:||Thu, 7 Sep 2017 05:37:16 +0000|
It means your “pair_coeff” had elements not found in the ReaxFF parameter file. From the warnings, it seems your parameter file wasn’t readable.
I am trying to simulate water model according to "J. Phys. Chem. B 2017, 121, 6021−6032". But, I am not able to understand the error. First, it gives some warning as:
and then it says:
Why is it saying Non-existent ReaxFF type while parameter file is present at same directory with parameters from the same paper?
Please help me to sort out this problem.