From owner-chemistry@ccl.net Tue Feb 14 20:14:00 2012
From: "kiran kumar nalla kiran.nalla1984]~[gmail.com" <owner-chemistry_+_server.ccl.net>
To: CCL
Subject: CCL:G: computational error
Message-Id: <-46289-120214183010-10165-DMRhehuD5J41tA861Usb5Q_+_server.ccl.net>
X-Original-From: "kiran kumar  nalla" <kiran.nalla1984 . gmail.com>
Date: Tue, 14 Feb 2012 18:30:08 -0500


Sent to CCL by: "kiran kumar  nalla" [kiran.nalla1984- -gmail.com]
hi i am trying to optimize peptide with transition metal ions and find the potential binding site on the peptide using gaussian but i got error stating

Error in internal coordinate system.
Error termination via Lnk1e in /var/gaussian/g09/l103.exe at Tue Feb 14 16:35:10 2012.
 Job cpu time:  0 days  0 hours  1 minutes 20.2 seconds.
 File lengths (MBytes):  RWF=    667 Int=      0 D2E=      0 Chk=     16 

i need help to reset this problem. i am very poor in computational chemistry but all my work is related to that if any one can help me fix this and some useful links to learn comutational plzz i need help very urgently

kiran kumar nalla
kiran.nalla1984()gmail.com