From owner-chemistry@ccl.net Mon Jul 7 12:21:00 2008 From: "Wayne Steinmetz WES04747(_)pomona.edu" To: CCL Subject: CCL: MM3 forcefield format Message-Id: <-37304-080706142829-19509-LDiCxc5tLExStP5g7nfXCQ###server.ccl.net> X-Original-From: "Wayne Steinmetz" Content-class: urn:content-classes:message Content-Transfer-Encoding: quoted-printable Content-Type: text/plain; charset="us-ascii" Date: Sun, 6 Jul 2008 10:47:07 -0700 MIME-Version: 1.0 Sent to CCL by: "Wayne Steinmetz" [WES04747]~[pomona.edu] Here is the problem. MM3 and MM4 are proprietary force fields. Users who have a license obtain a manual with all the details. I am unaware of a Web source of the information. Have you contacted the Allinger group? Wayne E. Steinmetz Professor Emeritus of Chemistry USFS Volunteer Chemistry Department Pomona College 645 North College Avenue Claremont, California 91711-6338 USA phone: 1-909-621-8447 FAX: 1-909-607-7726 Email: wsteinmetz^_^pomona.edu WWW: pages.pomona.edu/~wsteinmetz =20 -----Original Message----- > From: owner-chemistry^_^ccl.net [mailto:owner-chemistry^_^ccl.net]=20 Sent: Thursday, July 03, 2008 9:12 PM To: Wayne Steinmetz Subject: CCL: MM3 forcefield format Sent to CCL by: "Simon Halstead" [shalstead-#-hit.edu.cn] Dear all, I am trying to perform some simulations using the MM3 forcefield. However, I cannot find any explanation of the format of the forcefield. Could anyone please give me a brief description of the format of the forcefield (the form of the different terms and the various units too)? I already have all the different parameters, but unfortunately I only have access to journals that are available online. (My apologies if this is a repost, but I have not seen my original message appear) Thank you for your help, Simon Halstead -=3D This is automatically added to each message by the mailing script = =3D-http://www.ccl.net/cgi-bin/ccl/send_ccl_messageSubscribe/Unsubscribe:=20Job: http://www.ccl.net/jobs=20http://www.ccl.net/spammers.txt------------------------------------------------------------- This message has been scanned by Postini anti-virus software. =0D From owner-chemistry@ccl.net Mon Jul 7 13:57:00 2008 From: "Geoffrey Hutchison geoffh+:+:pitt.edu" To: CCL Subject: CCL: MM3 forcefield format Message-Id: <-37305-080707132959-24360-F8MrUIawu1/bKScXRlizng[-]server.ccl.net> X-Original-From: Geoffrey Hutchison Content-transfer-encoding: 7bit Content-type: text/plain; delsp=yes; format=flowed; charset=US-ASCII Date: Mon, 07 Jul 2008 13:29:09 -0400 MIME-version: 1.0 (Apple Message framework v926) Sent to CCL by: Geoffrey Hutchison [geoffh+:-:pitt.edu] > I am unaware of a Web source of the information. Have you contacted > the Allinger > group? I believe the MM2/MM3 webpage is kept reasonably current: http://europa.chem.uga.edu/allinger/mm2mm3.html At the very least, it comments on MM3(2000): http://europa.chem.uga.edu/allinger/mm32000_new.html Cheers, -Geoff --- Prof. Geoffrey Hutchison Department of Chemistry University of Pittsburgh tel: (412) 648-0492 email: geoffh|a|pitt.edu web: http://hutchison.chem.pitt.edu/ From owner-chemistry@ccl.net Mon Jul 7 14:31:00 2008 From: "Grigoriy Zhurko reg_zhurko{=}chemcraftprog.com" To: CCL Subject: CCL: Innotek/Sun VMBox Message-Id: <-37306-080707135739-26792-r6xiknkCUhEj704ol+uRNA..server.ccl.net> X-Original-From: Grigoriy Zhurko Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=us-ascii Date: Mon, 7 Jul 2008 21:26:05 -0700 MIME-Version: 1.0 Sent to CCL by: Grigoriy Zhurko [reg_zhurko(0)chemcraftprog.com] Dear CCL, > Anybody know what happened to the ChemCraft web site and associated software? > It seems to have vanished and has been replaced by an "Arts and Crafts" site. I am sorry for this problem. The site has been restored now. > Thanks. > Jim Grigoriy Zhurko. www.chemcraftprog.com From owner-chemistry@ccl.net Mon Jul 7 16:50:00 2008 From: "nee mis neerajmisra ~ hotmail.com" To: CCL Subject: CCL: instal Message-Id: <-37307-080707164917-6172-Hp6hDAVydeF86+p5+KCpxw . server.ccl.net> X-Original-From: "nee mis" Date: Mon, 7 Jul 2008 16:49:14 -0400 Sent to CCL by: "nee mis" [neerajmisra|a|hotmail.com] I am looking for a free program used for molecular modeling of large organic or biological molecules which can include three-body and four-body interactions. I shall be thankful for the suggestions. From owner-chemistry@ccl.net Mon Jul 7 18:36:01 2008 From: "soreneustis . gmail.com" To: CCL Subject: CCL: ChemCraft Software Message-Id: <-37308-080707153430-17606-LdcApNf2AbUHcXxwlXlLOA]|[server.ccl.net> X-Original-From: soreneustis/./gmail.com Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset="iso-8859-1" Date: Mon, 07 Jul 2008 09:49:55 -0700 (PDT) MIME-Version: 1.0 Sent to CCL by: soreneustis]_[gmail.com It is chemcraftprog.org --- Original Message --- > From:"Alexander Isayev alex~~ccmsi.us" Sent:Sun 7/6/08 1:48 pm To:"Eustis, Soren " Subj:CCL: ChemCraft Software Sent to CCL by: "Alexander Isayev" [alex-x-ccmsi.us] Looks like domain registration has expired. Therefore chemcraftprog.com domain has been bought by cybersquatting company :( Sincerely, Alexandr ---------- Original Message ---------------------------------- > From: "Jim Kress ccl_nospam|a|kressworks.com" Reply-To: "CCL Subscribers" Date: Sun, 6 Jul 2008 09:31:56 -0400 > >Sent to CCL by: "Jim Kress" [ccl_nospam(~)kressworks.com] >Anybody know what happened to the ChemCraft web site and associated software? > >It seems to have vanished and has been replaced by an "Arts and Crafts" site. > >Thanks. > >Jimhttp://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt