From chemistry-request:~at~:ccl.net Thu Dec 30 19:14:36 2004 Received: from yangtze.hku.hk (yangtze.hku.hk [147.8.148.244]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id iBV0EXJx019145 for ; Thu, 30 Dec 2004 19:14:34 -0500 Received: from yangtze.hku.hk (yangtze.hku.hk [127.0.0.1]) by yangtze.hku.hk (8.12.8/8.12.8) with ESMTP id iBV0Yiv4000898 for ; Fri, 31 Dec 2004 08:34:44 +0800 Received: from localhost (lhhu;at;localhost) by yangtze.hku.hk (8.12.8/8.12.8/Submit) with ESMTP id iBT6grh4027396 for ; Wed, 29 Dec 2004 14:43:28 +0800 Date: Wed, 29 Dec 2004 14:42:53 +0800 (HKT) From: HU lihong To: chemistry(at)ccl.net Subject: About AUTODOCK grid point Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII X-Spam-Status: No, hits=0.0 required=7.5 tests=none autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net Dear All, I have two questions about Autodock. (1) I am trying to docking several small ligands to a huge molecule by AUTODOCK. But by Autodock tool, I found the maximum grid point only can only be set to 126 in 3D. And I check the autodock manual I haven't found there is a limit about grid point. Did anyone have similar experiences? Could you please share them with me? (2)Does anyone have Phosphorus of ATP parameters? Thanks a lot, All the best, Holly