From KATEY@psipsy.uct.ac.za Mon Dec 12 06:22:14 1994 Received: from ucthpx.uct.ac.za for KATEY@psipsy.uct.ac.za by www.ccl.net (8.6.9/930601.1506) id FAA06144; Mon, 12 Dec 1994 05:36:39 -0500 Received: by ucthpx.uct.ac.za (/\==/\ Smail3.1.28.1 #28.43) id m0rH86b-000KGkC; Mon, 12 Dec 94 12:35 SAST Received: From ITS/WORKQ1 by charongw1.uct.ac.za via Charon-4.0A-VROOM with IPX id 100.941212123218.352; 12 Dec 94 12:38:32 -0200 Message-ID: To: chemistry@ccl.net From: KATEY@psipsy.uct.ac.za Date: 12 Dec 94 12:36:23 SAST-2 Subject: min. dist. between protons X-pmrqc: 1 Priority: normal X-mailer: Pegasus Mail v2.3 (R4). I am working with Macromodel, and have the problem that it generates structures in which the approach between two non-bonded hydrogens can be as little as 1.76 Angstroms, and the energy of such interactions is reported to be relatively low. I have used both the Amber force field and the MM2 force field. I don't understand how such a close interaction can have such a low energy. Can anyone please offer me an explanation? Kate Sunter.