From owner-chemistry#* at *#ccl.net Tue May 2 13:52:02 2006 From: "Alain Borel alain.borel|epfl.ch" To: CCL Subject: CCL: help needed Message-Id: <-31658-060502110942-23163-7rEgPLE7azMmAqvxC79B3g,,server.ccl.net> X-Original-From: Alain Borel Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset=ISO-8859-1 Date: Tue, 02 May 2006 16:09:26 +0200 MIME-Version: 1.0 Sent to CCL by: Alain Borel [alain.borel:+:epfl.ch] Marcin Krol mykrol_._cyf-kr.edu.pl wrote: > Sent to CCL by: Marcin Krol [mykrol^cyf-kr.edu.pl] > Hi Richard, > If you have access to a linux/unix machine try typing this command on the > command prompt: > > grep "ENERGY:" namd_heat.out | awk '{print $12}' | sort -n -k1 | tail -1 > this should give you the lowest value And if Mr. Wood really wants to go on using Windows, he can use the exact same tools by installing the free Cygwin environment: http://www.cygwin.com Best regards, Alain Borel Bibliothèque Scientifique Commune UNIL-EPFL BCH EPFL - SB - SCGC-BCH 1015 Lausanne, Switzerland. Tel.: +41 21 693 9800 Fax.: +41 21 693 9805 e-mail: alain.borel^_^epfl.ch http://biscom.epfl.ch