From owner-chemistry@ccl.net Wed Jan 10 22:10:01 2018
From: "Rinsha CH rinsha_p170030cy[*]nitc.ac.in" <owner-chemistry*server.ccl.net>
To: CCL
Subject: CCL: Error in QM/MM calculation with electronic embedding
Message-Id: <-53136-180110220913-7779-dhAt6IgAI0wdF+GEnmc81Q*server.ccl.net>
X-Original-From: "Rinsha  CH" <rinsha_p170030cy**nitc.ac.in>
Date: Wed, 10 Jan 2018 22:09:09 -0500


Sent to CCL by: "Rinsha  CH" [rinsha_p170030cy*nitc.ac.in]
Hello,
While I am performing QM/MM calculation using (b3lyp/6-
31+g(d):amber)=embed, I encountered an error as follows:

GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad 
Berny optimization. 
Using GEDIIS/GDIIS optimizer.
NTrRot= 550 NTRed= 799 NAtoms= 85 NSkip= 550 IsLin=F 
Error in internal coordinate system. 

How can I solve this error?