From soperpd@nylon.es.dupont.com Mon Jan 9 08:35:08 1995 Received: from gatekeeper.es.dupont.com for soperpd@nylon.es.dupont.com by www.ccl.net (8.6.9/930601.1506) id IAA08528; Mon, 9 Jan 1995 08:19:13 -0500 Received: by gatekeeper.es.dupont.com; id AA24067; Mon, 9 Jan 95 08:19:07 -0500 Received: by esds01.es.dupont.com; id AA10166; Mon, 9 Jan 95 08:19:05 -0500 Received: by nylon.es.dupont.com (931110.SGI/920502.SGI)for @esds01.es.dupont.com:chemistry@ccl.net id AA03583; Mon, 9 Jan 95 08:19:47 -0500 Date: Mon, 9 Jan 95 08:19:47 -0500 From: soperpd@nylon.es.dupont.com (Paul D. Soper) Message-Id: <9501091319.AA03583@nylon.es.dupont.com> To: iyer@moe.che.uc.edu Cc: chemistry@ccl.net Subject: Re: CCL:Amber related newsgroups? Karthik, Try bionet.molec-model (although it is not specific to AMBER). Good luck, Paul ----------------------------------------------------------------- Paul Soper Tel 695-1757 ESVAX::SOPERPD CRD - E328/166 FAX 695-8412 soperpd@nylon.es.dupont.com ----------------------------------------------------------------- From tominaga@st.rim.or.jp Mon Jan 9 08:59:32 1995 Received: from mail.st.rim.or.jp for tominaga@st.rim.or.jp by www.ccl.net (8.6.9/930601.1506) id IAA08538; Mon, 9 Jan 1995 08:26:31 -0500 Received: from [202.255.181.37] (ppp004.st.rim.or.jp [202.255.181.37]) by mail.st.rim.or.jp (8.6.9+2.4W/3.3W-rim1.0) with SMTP id WAA12317; Mon, 9 Jan 1995 22:26:03 +0900 Message-Id: <199501091326.WAA12317@mail.st.rim.or.jp> Date: Mon, 9 Jan 1995 22:28:19 +0000 To: JAS@CHEM.UNI.WROC.PL From: tominaga@st.rim.or.jp (Junji Tominaga) X-Sender: tominaga@mail.st.rim.or.jp (Unverified) Subject: CCL:Molecular Dynamics of molten salts Cc: chemistry@ccl.net MIME-Version: 1.0 Content-Type: text/plain; charset=iso-2022-jp X-Mailer: Eudora-J(1.3.7-J12) At 3:44 PM 95.1.7 +0000, Janusz Dzielendziak wrote: >Dear Netters, >I'm interested in molecular dynamics (or the other simulation) >in electrochemistry of molten salts. Maybe somebody >help me. Dear Dr. Janusz Dzielendziak When I was a graduate student of Chiba Univ. in Japan, I had studied molten salts chemistry, especially, the electronic polarizabilities of ionic elements. At the time, my professor, J. Mochinaga and another professor, Okada of Tokyo Inst. of Tech. had researched the molecular dynamics simulation of many molten salts. Prof. Mochinaga has already been retired, but, his successor, professor Y. Iwadate of Chiba Univ. will help you, I think. Please send a letter to him ( unfortunately, I don't know his e-mail address now) Address: Prof. Y. Iwadate Department of functional material science Chiba univ. Yayoi-cho, Inage-ku, Chiba-shi, JAPAN. ---------------------------------------------------------------------------- ----------- Dr. J. Tominaga TDK Corp. R&D Center, JAPAN E-mail address: tominaga@st.rim.or.jp From IJZERMAN@rulgca.LeidenUniv.nl Mon Jan 9 11:35:16 1995 Received: from rulgca.LEIDENUNIV.NL for IJZERMAN@rulgca.LeidenUniv.nl by www.ccl.net (8.6.9/930601.1506) id LAA11461; Mon, 9 Jan 1995 11:23:00 -0500 From: Received: from rulgca.LeidenUniv.nl by rulgca.LeidenUniv.nl (PMDF V4.3-10 #2497) id <01HLNFIOG3680003M0@rulgca.LeidenUniv.nl>; Mon, 09 Jan 1995 17:23:38 +0100 (MET) Date: Mon, 09 Jan 1995 17:23:38 +0100 (MET) Subject: 2D-3D databases To: chemistry@ccl.net Message-id: <01HLNFIOGQPU0003M0@rulgca.LeidenUniv.nl> X-Envelope-to: chemistry@ccl.net X-VMS-To: IN%"chemistry@ccl.net" MIME-version: 1.0 Content-transfer-encoding: 7BIT Dear netters, we are currently evaluating the use and usefulness of 3D-databases, 2-3D conversion programmes etc. in an ACADEMIC environment. Therefore, we highly appreciate your thoughts and remarks, i.e. your hands-on experience with particular programs, costs versus benefits, particular hardware, etc. I have read most recent contributions to the net on this topic; nevertheless I look forward to software vendors' info, etc. Ad IJzerman Leiden/Amsterdam Center for Drug Research From ross@cgl.ucsf.EDU Mon Jan 9 12:13:34 1995 Received: from socrates.ucsf.EDU for ross@cgl.ucsf.EDU by www.ccl.net (8.6.9/930601.1506) id LAA11208; Mon, 9 Jan 1995 11:14:54 -0500 Received: (from ross@localhost) by socrates.ucsf.EDU (8.6.9/GSC4.24) id IAA05744 for chemistry@ccl.net; Mon, 9 Jan 1995 08:14:52 -0800 Date: Mon, 9 Jan 1995 08:14:52 -0800 Message-Id: <199501091614.IAA05744@socrates.ucsf.EDU> From: ross@cgl.ucsf.edu (Bill Ross ) To: chemistry@ccl.net Subject: Re: Amber related newsgroups? Here is the amber reflector info. The Web site also has info on other resources that get mentioned here that strike me as related to the needs of molecular mechanics users. Bill Ross There is a mail reflector for users and people interested in Amber. A major part of the traffic is the bugfix announcements. (These and other material are posted on the World Wide Web at: http://www.amber.ucsf.edu/amber/amber.html.) Mail sent to the reflector is automatically sent to all who have joined the list. You can address all members by sending mail to either of the following addresses: amber@cgl.ucsf.edu amber@ucsfcgl.bitnet and mail to either amber-request@cgl.ucsf.edu amber-request@ucsfcgl.bitnet for administrative requests. -- From nmueller@alijku06.edvz.uni-linz.ac.at Mon Jan 9 12:29:20 1995 Received: from alijku06.edvz.uni-linz.ac.at for nmueller@alijku06.edvz.uni-linz.ac.at by www.ccl.net (8.6.9/930601.1506) id LAA11107; Mon, 9 Jan 1995 11:03:38 -0500 Received: from [140.78.98.5] (nmueller.chemie.uni-linz.ac.at) by alijku06.edvz.uni-linz.ac.at with SMTP id AA24899 (5.65c/IDA-1.4.4); Mon, 9 Jan 1995 16:04:58 +0100 X-Sender: k360171@pop.edvz.uni-linz.ac.at Message-Id: Mime-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable Date: Mon, 9 Jan 1995 16:10:43 +0200 To: FALK@icon.co.at, ber%bamdemo%bamsoft@germany.eu.net, chrei@unisoft.co.at, meyer@monoc.tamu.edu (Prof. Edgar Meyer), ch.etzlstorfer@jk.uni-linz.ac.at, boden@magnet.fsu.edu, Guenter Huber <100023.1502@compuserve.com>, A8401DAN@AWIUNI11.EDVZ.UNIVIE.AC.AT ("Univ.-Doz. Mag. Dr. Hermann Kalchhauser"), gue@soft.uni-linz.ac.at, siegfried.schwarz@uibk.ac.at, koini@jetson.uh.edu, jk@physc.su.se (Jozef Kowalewski), mhl@physc.su.se (Malcolm Levitt), achim@larc.info.uqam.ca (Marcel Achim), mptp@metrowerks.com (Metrowerks Permanent Testing Program), muller@marvin.mr.sintef.no, pines@ns144.cchem.berkeley.edu, vincent@magnet.fsu.edu, smrecki@olimp.irb.hr, a8401daa@helios.edvz.univie.ac.at, go@mfn.ki.se, phardman@sunserver.ssci.liv.ac.uk, wagneru@bkfug.kfunigraz.ac.at, plesch@ask.uni-karlsruhe.de, MEYER@monoc.tamu.edu, chemistry@ccl.net From: nmueller@jk.uni-linz.ac.at (Norbert Mueller) Subject: Change of Address Cc: boden@magnet.fsu.edu (Geoffrey Bodenhausen), tosh@nmr.lpc.ethz.ch, g.gsaller@amda.or.at (Guenther Gsaller), herp@convex.edvz.uni-linz.ac.at, rk@chem0.uibk.ac.at (rk), ujordis@email.tuwien.ac.at, upolklan@savba.savba.sk, emsley@chimie.ens-lyon.fr, Stefano.Caldarelli@unil.ch, Rainer.Floegel@ico.unil.ch, sosi@atlas.chem.utah.edu, werner@rascal.ics.utexas.edu, glaser@bgumail.bgu.ac.il, hpj@cxa.dl.ac.uk, liptaj@cvt.stuba.cs, WAGNERU@edvz.uni-graz.ada.at, mhl@tom.fos.su.se, str-nmr@dl.ac.uk, ammrl@bloch.cchem.berkeley.edu, smrecki@olimp.irb.hr, kratky@bkfug.kfunigraz.ac.at, d88-jwa@nada.kth.se, smt%biosym.uucp@germany.eu.net, JKUINFO@ALIJKU04.EDVZ.UNI-LINZ.AC.AT, bruder@infinity.metrowerks.ca, ipelczer@MAILBOX.SYR.EDU I Am Moving=0C Ich =FCbersiedle =0CStarting February 1st, 1995 Ab 1.Februar 1995 werde ich unter my official address will be: folgender Adresse erreichbar sein:=0C MR-Center, SINTEF UNIMED N-7034 TRONDHEIM, NORWAY Tel: +47 73997700 (Sekretariat) Fax: +47 73997708 e-mail: muller@marvin.mr.sintef.no Please allow for initial Nicht alle Verbindungen delays in setting up werden sogleich problemlos communication links! funktionieren. Bitte um Geduld! May I at the same time wish a Ich moechte bei dieser Gelegenheit very Happy New Year to all I allen, denen ich aufgrund der Um- did not send any regular stellung keine Weihnachtspost Christmas cards, due to the sandte ein Gutes Neues Jahr w=FCnsch= en. activities involved with this transition. I apologize for duplicates. Bitte entschuldigen Sie Mehrfachsendungen. ---------------------------------------------------------------- Norbert Mueller e-mail: NMUELLER@jk.uni-linz.ac.at (POP3 - Eudora - preferred) Norbert@soft.uni-linz.ac.at (MacPost - for personal messages) norbertm@convex.edvz.uni-linz.ac.at (unix - for BIG files) Mueller@amda.or.at (a last resort) ATTENTION: Starting February 1st 1995 my official address will be: muller@marvin.mr.sintef.no MR-Center, SINTEF UNIMED N-7034 TRONDHEIM, NORWAY From nmueller@alijku06.edvz.uni-linz.ac.at Mon Jan 9 12:37:42 1995 Received: from alijku06.edvz.uni-linz.ac.at for nmueller@alijku06.edvz.uni-linz.ac.at by www.ccl.net (8.6.9/930601.1506) id KAA10488; Mon, 9 Jan 1995 10:36:22 -0500 Received: from [140.78.98.5] (nmueller.chemie.uni-linz.ac.at) by alijku06.edvz.uni-linz.ac.at with SMTP id AA24899 (5.65c/IDA-1.4.4 for ); Mon, 9 Jan 1995 16:04:58 +0100 X-Sender: k360171@pop.edvz.uni-linz.ac.at Message-Id: Mime-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable Date: Mon, 9 Jan 1995 16:10:43 +0200 To: FALK@icon.co.at, ber%bamdemo%bamsoft@germany.eu.net, chrei@unisoft.co.at, meyer@monoc.tamu.edu (Prof. Edgar Meyer), ch.etzlstorfer@jk.uni-linz.ac.at, boden@magnet.fsu.edu, Guenter Huber <100023.1502@compuserve.com>, A8401DAN@AWIUNI11.EDVZ.UNIVIE.AC.AT ("Univ.-Doz. Mag. Dr. Hermann Kalchhauser"), gue@soft.uni-linz.ac.at, siegfried.schwarz@uibk.ac.at, koini@jetson.uh.edu, jk@physc.su.se (Jozef Kowalewski), mhl@physc.su.se (Malcolm Levitt), achim@larc.info.uqam.ca (Marcel Achim), mptp@metrowerks.com (Metrowerks Permanent Testing Program), muller@marvin.mr.sintef.no, pines@ns144.cchem.berkeley.edu, vincent@magnet.fsu.edu, smrecki@olimp.irb.hr, a8401daa@helios.edvz.univie.ac.at, go@mfn.ki.se, phardman@sunserver.ssci.liv.ac.uk, wagneru@bkfug.kfunigraz.ac.at, plesch@ask.uni-karlsruhe.de, MEYER@monoc.tamu.edu, chemistry@ccl.net From: nmueller@jk.uni-linz.ac.at (Norbert Mueller) Subject: Change of Address Cc: boden@magnet.fsu.edu (Geoffrey Bodenhausen), tosh@nmr.lpc.ethz.ch, g.gsaller@amda.or.at (Guenther Gsaller), herp@convex.edvz.uni-linz.ac.at, rk@chem0.uibk.ac.at (rk), ujordis@email.tuwien.ac.at, upolklan@savba.savba.sk, emsley@chimie.ens-lyon.fr, Stefano.Caldarelli@unil.ch, Rainer.Floegel@ico.unil.ch, sosi@atlas.chem.utah.edu, werner@rascal.ics.utexas.edu, glaser@bgumail.bgu.ac.il, hpj@cxa.dl.ac.uk, liptaj@cvt.stuba.cs, WAGNERU@edvz.uni-graz.ada.at, mhl@tom.fos.su.se, str-nmr@dl.ac.uk, ammrl@bloch.cchem.berkeley.edu, smrecki@olimp.irb.hr, kratky@bkfug.kfunigraz.ac.at, d88-jwa@nada.kth.se, smt%biosym.uucp@germany.eu.net, JKUINFO@ALIJKU04.EDVZ.UNI-LINZ.AC.AT, bruder@infinity.metrowerks.ca, ipelczer@MAILBOX.SYR.EDU I Am Moving=0C Ich =FCbersiedle =0CStarting February 1st, 1995 Ab 1.Februar 1995 werde ich unter my official address will be: folgender Adresse erreichbar sein:=0C MR-Center, SINTEF UNIMED N-7034 TRONDHEIM, NORWAY Tel: +47 73997700 (Sekretariat) Fax: +47 73997708 e-mail: muller@marvin.mr.sintef.no Please allow for initial Nicht alle Verbindungen delays in setting up werden sogleich problemlos communication links! funktionieren. Bitte um Geduld! May I at the same time wish a Ich moechte bei dieser Gelegenheit very Happy New Year to all I allen, denen ich aufgrund der Um- did not send any regular stellung keine Weihnachtspost Christmas cards, due to the sandte ein Gutes Neues Jahr w=FCnsch= en. activities involved with this transition. I apologize for duplicates. Bitte entschuldigen Sie Mehrfachsendungen. ---------------------------------------------------------------- Norbert Mueller e-mail: NMUELLER@jk.uni-linz.ac.at (POP3 - Eudora - preferred) Norbert@soft.uni-linz.ac.at (MacPost - for personal messages) norbertm@convex.edvz.uni-linz.ac.at (unix - for BIG files) Mueller@amda.or.at (a last resort) ATTENTION: Starting February 1st 1995 my official address will be: muller@marvin.mr.sintef.no MR-Center, SINTEF UNIMED N-7034 TRONDHEIM, NORWAY From y_zheng@ccmail.pnl.gov Mon Jan 9 19:35:18 1995 Received: from pnl.gov for y_zheng@ccmail.pnl.gov by www.ccl.net (8.6.9/930601.1506) id SAA20057; Mon, 9 Jan 1995 18:55:27 -0500 From: Received: from ccmail.pnl.gov by pnl.gov (PMDF V4.3-13 #6012) id <01HLNCGP1WEO00004U@pnl.gov>; Mon, 09 Jan 1995 15:55:24 -0800 (PST) Date: Mon, 09 Jan 1995 15:29 -0800 (PST) Subject: Looking fo G-matrix program To: chemistry@ccl.net Message-id: <01HLNCGP2PLU00004U@pnl.gov> MIME-version: 1.0 Content-transfer-encoding: 7BIT Hi, I am looking for a program to transform force constant matrix in cartesian coordinates to force constant matrix in internal coordinates. Any suggestion as to where to get free code will be greatly appreciated. Also, does any one know where I could get Schachtscheider's G-matrix program? Thanks. Yajun