CCL: Detecting non-covalent interactions



 Sent to CCL by: "Henrique C. S. Junior" [henriquecsj*gmail.com]
 Dear list,
 I’m trying to use nciplot to detect a intermolecular interaction
 between two monomers of the type [Cu(II)Cl2(L)2] (L is an inorganic
 ligand). The supposed interaction is like this:
 Cl-Cu-L-----Cl-Cu-L-----Cl-Cu-L and so on.
 My input is as follows:
 ---
 1
 i08.wfn
 INTERMOLECULAR 0.8
 ---
 I have tried values from 0.8 to 1 in INTERMOLECULAR butnothing
 happened, I’m just receiving blank files:
 -rw-rw-r-- 1 henrique henrique 0 Jul 2 09:04 i08.dat
 -rw-rw-r-- 1 henrique henrique 0 Jul 2 09:04 i08-dens.cube
 -rw-rw-r-- 1 henrique henrique 0 Jul 2 09:04 i08-grad.cube
 -rw-rw-r-- 1 henrique henrique 25 Jul 2 09:04 i08.nci
 -rw-rw-r-- 1 henrique henrique 0 Jul 2 09:04 i08.out
 -rw-rw-r-- 1 henrique henrique 0 Jul 2 09:04 i08.vmd
 -rwxrwxrwx 1 henrique henrique 29M Jun 30 14:52 i08.wfn
 Any help is much appreciated.
 P.S.: If nciplot is not the right tool for the task of confirming an
 intermolecular interaction, can you sggest a better one?