From owner-chemistry@ccl.net Sun Sep 24 06:49:14 1995 Received: from bedrock.ccl.net for owner-chemistry@ccl.net by www.ccl.net (8.6.10/950822.1) id GAA06791; Sun, 24 Sep 1995 06:35:46 -0400 Received: from csb0.IPC.PKU.EDU.CN for ldw@csb0.IPC.PKU.EDU.CN by bedrock.ccl.net (8.6.10/950822.1) id GAA10065; Sun, 24 Sep 1995 06:35:41 -0400 Received: by csb0.IPC.PKU.EDU.CN (920330.SGI/940406.SGI.AUTO) for chemistry@ccl.net id AA19332; Sun, 24 Sep 95 18:15:59 -0700 Date: Sun, 24 Sep 1995 18:15:55 -0700 (PDT) From: ldw To: chemistry@ccl.net Subject: Small Peptides Dynamics Calculation Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear Netters, I am SORRY for a wrong subject of my first posting of the following message. (The wrong subject is CCL:Call for Papers - 3D databasing, if you have read that message. Not need to read the following). :-( I want to the molecular dynamics calculation of small peptides(lenght 5 to 8). Before I set out to do the calculations, I like to listen any of your suggests or experences. To describe in detail is warmly welcome, such as how many steps will equlibration take, how long time will be enought to get a reasonable structure. The newly references are also welcome. I will summary if some thing interesting. Thanks in advance, Dawei ---------- *** Dawei LIN *** ------------------ Ph.D student of Molecular Design Lab Institute of Physical chemistry Peking University Beijing 100871 P.R.China Phone: 86-10-2501490 Fax: 86-10-2501725 Email: ldw@ipc.pku.edu.cn ldw@pschnetware.pku.edu.cn URL: http://www.ipc.pku.edu.cn/ldw/ldw.htm ------------------------------------------------