From chemistry-request@server.ccl.net Fri Jan 12 11:09:18 2001 Received: from resstor.ndsu.nodak.edu (resstor.ndsu.NoDak.edu [134.129.111.204]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f0CG9Ip24051 for ; Fri, 12 Jan 2001 11:09:18 -0500 Received: from hotmail.com (sud8b.pharm.ndsu.NoDak.edu [134.129.118.52]) by resstor.ndsu.nodak.edu (8.9.3/8.9.3) with ESMTP id KAA32618; Fri, 12 Jan 2001 10:09:18 -0600 Message-ID: <3A5F27BF.5678BB28@hotmail.com> Date: Fri, 12 Jan 2001 09:50:24 -0600 From: xin_hu Organization: NDSU X-Mailer: Mozilla 4.7 [en] (Win98; I) X-Accept-Language: en MIME-Version: 1.0 To: chemistry@ccl.net Subject: AMBER6.0 HELP References: <3A5CE2B9.B09726E1@mcmaster.ca> <3A5E9C27.368CEB0C@hotmail.com> Content-Type: text/plain; charset=gb2312 Content-Transfer-Encoding: 7bit Hello: I am a newer of AMBER6.0 and just try to learn how to use it. Maybe it is a stupid question but hopefully someone give me a help. My questions are 1) Can I load a pdb file of protein, assign the residues with charges, and save the file as pdb or other type formate? if can, what's kind of charge it is assigned? 2) How to just add polar hydrogen (united atom) to residues, and how to assign the kollman united atom charges using AMBER6.0? I appreciate your help. Thanks. xin hu > > -- > ************************************************* > Xin Hu > Department of Pharmaceutical Science > College of Pharmacy > North Dakota State University > Fargo, ND 58105 > Tel: 701-231-8298 (O) > 701-231-4360 (H) > Fax: 701-231-7781 > E-mail: Xin_Hu@ndsu.nodak.edu > xxh0541@hotmail.com > ************************************************* > -- ************************************************* Xin Hu Department of Pharmaceutical Science College of Pharmacy North Dakota State University Fargo, ND 58105 Tel: 701-231-8298 (O) 701-231-4360 (H) Fax: 701-231-7781 E-mail: Xin_Hu@ndsu.nodak.edu xxh0541@hotmail.com *************************************************