How to solve CartHess2FC line 256 error, "in get_blist radiusi = CoRadiiDict[ati]"?

I am trying to run CartHess2FC for a metal site, using the output of a computation with GAMESS that went apparently smoothly. Normally I have no trouble with it, but I have always used CartHess2FC...

04 October 2021 7,635 0 View