From chemistry-request "-at-" server.ccl.net Fri Oct 15 07:00:56 1999 Received: from ms.dicp.ac.cn ([159.226.159.1]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id HAA27335 for ; Fri, 15 Oct 1999 07:00:49 -0400 Received: from p100 ([159.226.159.123]) by ms.dicp.ac.cn (8.8.5/SCO5) with SMTP id SAA23654 for ; Fri, 15 Oct 1999 18:50:58 +0800 (CST) Message-Id: <199910151050.SAA23654: at :ms.dicp.ac.cn> Date: Fri, 15 Oct 1999 19:0:37 +0800 From: Li Guo Hui Reply-To: chenhua %-% at %-% ms.dicp.ac.cn To: "CHEMISTRY #at# ccl.net" Subject: How can get charge distribution fastly and correctly in MDS of biomolecules. Organization: Dalian Institute of Chemical Physics X-mailer: FoxMail 3.0 beta 1 [cn] Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Content-Transfer-Encoding: 7bit Dear,CCLERS: i am not very farmillar with Molecular Dynamics Simulation of macromolecule or biomolecules.i had a question about this. during the simulation, how can one get charge distribution of biomolecule correctly and fastly. i would summary reply for you. thanks in advance Best Wishes With You