From owner-chemistry@ccl.net Sat Jul  2 08:46:00 2016
From: "Henrique C. S. Junior henriquecsj,gmail.com" <owner-chemistry|a|server.ccl.net>
To: CCL
Subject: CCL: Detecting non-covalent interactions
Message-Id: <-52267-160702084146-29289-CZNu40/VMEDk61CqikxQPA|a|server.ccl.net>
X-Original-From: "Henrique C. S. Junior" <henriquecsj!^!gmail.com>
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Date: Sat, 2 Jul 2016 09:41:01 -0300
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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?