From chemistry-request@server.ccl.net Sun Aug 20 00:18:15 2000 Received: from mail-relay-pune.ernet.in (mail-relay-PUNE.ernet.in [202.41.82.35]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id AAA18299 for ; Sun, 20 Aug 2000 00:18:08 -0400 Received: from jivdhan.unipune.ernet.in (mailhub.unipune.ernet.in [196.1.114.31]) by mail-relay-pune.ernet.in (8.9.1/8.9.1) with ESMTP id WAA20735 for ; Sat, 19 Aug 2000 22:44:58 +0530 Received: from chem.unipune.ernet.in (chem.unipune.ernet.in [196.1.114.10]) by jivdhan.unipune.ernet.in (8.9.0/UnipuneMailhubV1.3) with ESMTP id WAA15266; Sat, 19 Aug 2000 22:17:00 +0530 Received: from localhost (gadre@localhost) by chem.unipune.ernet.in (8.8.7/8.8.7) with SMTP id WAA07230; Sat, 19 Aug 2000 22:57:35 +0530 Date: Sat, 19 Aug 2000 22:57:35 +0530 (IST) From: "Prof. Shridhar R. Gadre" To: CHEMISTRY@server.ccl.net cc: CHEMISTRY@osc.ccl.edu.ernet.in Subject: (Large)Molecule properties Message-ID: MIME-Version: 1.0 Content-Type: MULTIPART/REPORT; REPORT-TYPE=delivery-status; BOUNDARY="WAA20657.966704460/mail-relay-pune.ernet.in" Content-ID: This message is in MIME format. The first part should be readable text, while the remaining parts are likely unreadable without MIME-aware tools. Send mail to mime@docserver.cac.washington.edu for more info. --WAA20657.966704460/mail-relay-pune.ernet.in Content-Type: TEXT/PLAIN; CHARSET=US-ASCII Content-ID: Dear Colleages : We have developed a very efficient algorithm to obtain ab initio-qualty molecular electron densities and electrostatic potentials for reasonably large molecules (viz. with more than 500 but less than 1000 atoms including hydrogens). Do you have some test cases of polypeptides, polymers or proteins of this type..where you would like to obtain ab initio quality electron densities or electrostatic potentials? Thanks for your help!......................Shridhar gadre --WAA20657.966704460/mail-relay-pune.ernet.in--