Hello,
Have I missed anything in order to access the Youtube tutorial on FISAPT?
Reason being I have been trying to chop my molecule up in almost every reasonable way, but I am still getting the error: Exception: Atom 9 has charge >0.0, should be in fragments.
I have attached the fA.dat
, fB.dat
, and the .xyz
file for the dimer, if anyone could help to point out what have I done wrong here.
Thank you.