From chemistry-request@server.ccl.net Wed Mar 20 14:28:14 2002 Received: from smtp.csc.fi ([193.166.0.99]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g2KJSDp20961 for ; Wed, 20 Mar 2002 14:28:14 -0500 Received: from ISOSIRRI (rhols63.adsl.netsonic.fi [194.29.198.63]) by smtp.csc.fi (8.9.3/8.9.3/CSC) with ESMTP id VAA07551 for ; Wed, 20 Mar 2002 21:28:02 +0200 From: "Leif Laaksonen" To: Subject: CCL:trajectory file conversion and CHARMm/CHARMM float differences Date: Wed, 20 Mar 2002 21:27:23 +0200 Message-ID: <001001c1d045$45209a90$ba1c7b0a@ISOSIRRI> MIME-Version: 1.0 Content-Type: multipart/mixed; boundary="----=_NextPart_000_0011_01C1D056.08A96A90" X-Priority: 3 (Normal) X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook, Build 10.0.3416 X-MimeOLE: Produced By Microsoft MimeOLE V6.00.2600.0000 Importance: Normal This is a multi-part message in MIME format. ------=_NextPart_000_0011_01C1D056.08A96A90 Content-Type: text/plain; charset="us-ascii" Content-Transfer-Encoding: 7bit Hi, Rick Venable told that "the academic CHARMM switched to REAL*8 several years ago", which I did not know. Is there any information in any of the CHARMM/CHARMm headers that a certain trajectory uses REAL*4 or REAL*8 floats? Regards, -leif laaksonen ------=_NextPart_000_0011_01C1D056.08A96A90 Content-Type: text/x-vcard; name="Leif Laaksonen.vcf" Content-Transfer-Encoding: 7bit Content-Disposition: attachment; filename="Leif Laaksonen.vcf" BEGIN:VCARD VERSION:2.1 N:Laaksonen;Leif FN:Leif Laaksonen ORG:Center for Scientific Computing;CSC New Technologies TITLE:New Technologies Group Manager NOTE;ENCODING=QUOTED-PRINTABLE:My personal Web page: http://www.csc.fi/~laaksone/=0D=0A=0D=0AMy personal fa= x: +44-870-831-8909=0D=0A=0D=0A=0D=0A TEL;WORK;VOICE:+358 9 457 2378 TEL;CELL;VOICE:+358500425203 TEL;WORK;FAX:+358 9 457 2302 TEL;HOME;FAX:+44 870 831 8909 ADR;WORK;ENCODING=QUOTED-PRINTABLE:;;Tekniikantie 15 a D=0D=0AP.O.Box 405;Espoo;;FIN-02101;Finland LABEL;WORK;ENCODING=QUOTED-PRINTABLE:Tekniikantie 15 a D=0D=0AP.O.Box 405=0D=0AEspoo FIN-02101=0D=0AFinland URL:http://laaksonen.csc.fi/ URL:http://www.csc.fi/ EMAIL;PREF;INTERNET:Leif.Laaksonen@csc.fi EMAIL;INTERNET:Leif.Laaksonen@iki.fi EMAIL;INTERNET:laaksone@csc.fi REV:20010502T202010Z END:VCARD ------=_NextPart_000_0011_01C1D056.08A96A90--