From chemistry-request@server.ccl.net Sat Aug 17 10:28:23 2002 Received: from ilion.bio.sunysb.edu ([129.49.94.22]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g7HESNo19559 for ; Sat, 17 Aug 2002 10:28:23 -0400 Received: (from carlos@localhost) by ilion.bio.sunysb.edu (SGI-8.9.3/8.9.3) id KAA92408; Sat, 17 Aug 2002 10:28:18 -0400 (EDT) Date: Sat, 17 Aug 2002 10:28:18 -0400 (EDT) From: Carlos Simmerling Message-Id: <200208171428.KAA92408@ilion.bio.sunysb.edu> To: CCL list , Vlad Cojocaru Subject: Re: CCL:freeware for rmsd fit moil-view will overlap structures with different toplogies, and you can select different atoms for each structure (as long as the # selected is the same). http://comp.chem.sunysb.edu/mlv.html From chemistry-request@server.ccl.net Sat Aug 17 11:36:56 2002 Received: from gordon.chem.wayne.edu ([141.217.26.2]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g7HFauo21293 for ; Sat, 17 Aug 2002 11:36:56 -0400 Received: from [192.168.1.6] (som.chem.wayne.edu [141.217.26.193]) by gordon.chem.wayne.edu (8.10.2+Sun/8.10.2) with ESMTP id g7HFavK03304 for ; Sat, 17 Aug 2002 11:36:57 -0400 (EDT) Mime-Version: 1.0 Message-Id: Date: Sat, 17 Aug 2002 11:40:18 -0700 To: chemistry@ccl.net From: "mer@gordon.chem.wayne.edu" Subject: PMF in CHARMM Content-Type: text/plain; charset="us-ascii" ; format="flowed" Dear CCL'ers: Does anyone know whether the potential of mean force (PMF) calculations in CHARMM can be carried out in parallel? Also, is anyone aware of a program that would carry out these calculations in parallel? Thanks, Samy. --