From chemistry-request _-at-_)www.ccl.net Wed Jan 27 07:50:35 1999 Received: from hotmail.com (law-f126.hotmail.com [209.185.131.189]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with SMTP id HAA07891 Wed, 27 Jan 1999 07:50:31 -0500 (EST) Received: (qmail 9469 invoked by uid 0); 27 Jan 1999 12:49:52 -0000 Message-ID: <19990127124952.9468.qmail*- at -*hotmail.com> Received: from 199.89.234.120 by www.hotmail.com with HTTP; Wed, 27 Jan 1999 04:49:51 PST X-Originating-IP: [199.89.234.120] From: "Gautham Nadig" To: chemistry#* at *#www.ccl.net Subject: HELP WITH TINKER Date: Wed, 27 Jan 1999 04:49:51 PST Mime-Version: 1.0 Content-Type: text/plain Hello, I am trying to implement TINKER to run MD on biomolecules. I am unable to do a minimization of a tripeptide in solution. the energy blows up. is there an example file where i could look into? [it is a tripeptide immersed in a 15A cube of tip3p waters]. the minimization in vaccum runs fine. minimization/md of water alone runs fine too. any help is greatly appreciated gautham -------- Monsanto,R&D center, Bangalore, INDIA ------ ______________________________________________________ Get Your Private, Free Email at http://www.hotmail.com