scatter.lib error in water_pick.inp
- Dear All,
I am attempting to refine a structure with BeF3- as a ligand.
Initially I received the error message;
%XRASSOC-ERR: missing SCATter definition for (each of the atoms)
I redefined scatter.lib, and was able to proceed with minimize.inp,
bgroup.inp, and bindividual.inp without error. However, when I
attempted to add water using water_pick.inp, I again encountered the
above error message.
Has anyone encountered this problem before? Any suggestions?