From chemistry-request@server.ccl.net Tue Feb 11 12:34:24 2003 Received: from hermes.bmc.uu.se ([130.238.39.245]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id h1BHYOp07544 for ; Tue, 11 Feb 2003 12:34:24 -0500 Received: from xray.bmc.uu.se (alpha2.bmc.uu.se [130.238.37.65]) by hermes.bmc.uu.se (Post.Office MTA v3.5.3 release 223 ID# 0-62649U1500L1000S0V35) with ESMTP id se for ; Tue, 11 Feb 2003 18:34:17 +0100 Received: from localhost (isabella@localhost) by xray.bmc.uu.se (8.11.6/8.8.7) with ESMTP id h1BHMeG18464 for ; Tue, 11 Feb 2003 18:22:40 +0100 Date: Tue, 11 Feb 2003 18:22:40 +0100 (CET) From: Isabella Feierberg To: chemistry@ccl.net Subject: average MD structures Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hi, we would like to create average structures from MD trajectories using internal coordinates rather than averaging over Cartesian coordinates. Does anyone know of any program that can do this for us? We use the common dcd trajectory format. Best regards Isabella ----------------------------------------------------------------------- Isabella Feierberg Dep. of Cell and Molecular Biology Uppsala University, Biomedical Center Box 596, S-751 24 UPPSALA, Sweden tel: +46 - 18 - 471 50 56 fax: +46 - 18 - 53 69 71 http://xray.bmc.uu.se/~aqwww -----------------------------------------------------------------------