From chemistry-request@server.ccl.net Fri Sep 10 02:14:54 1999 Received: from merganser.its.uu.se (merganser.its.uu.se [130.238.6.236]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id CAA24665 for ; Fri, 10 Sep 1999 02:14:53 -0400 Received: from uria.its.uu.se ([130.238.7.14]:4361 "HELO basic65.student.uu.se") by merganser.its.uu.se with SMTP id ; Fri, 10 Sep 1999 08:10:07 +0200 Message-ID: <004801befb53$347fca40$4104a8c0@student.uu.se> From: "Paneth" To: Subject: G:scipcm Date: Fri, 10 Sep 1999 08:10:38 +0200 MIME-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: 7bit X-Priority: 3 X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook Express 5.00.2014.211 X-MimeOLE: Produced By Microsoft MimeOLE V5.00.2014.211 Dear all: could someone tell me what's the most effective way of dealing with the problem in SCIPCM calculations which yields the following error description: It is probable that some of the solute is outside the cavity and/or parts of the cavity surface cannot be reached from the origin. Try more integration points or a different set of integration origins. Surface Problems in SciFoc Thanks in advance, Piotr ****************************************************** Professor Piotr Paneth Department of Chemistry, Technical University Zeromskiego 116, 90-924 Lodz, Poland phone/fax: (+48 42) 631-3199 fax: (+48 42) 636-5008