From chemistry-request@server.ccl.net Sun Dec 20 05:11:32 1998 Received: from www.ccl.net (www.ccl.net [192.148.249.5]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id FAA07314 for ; Sun, 20 Dec 1998 05:11:32 -0500 Received: from cacr.ioc.ac.ru (cacr.ioc.ac.ru [193.233.3.1]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id FAA05038 Sun, 20 Dec 1998 05:07:59 -0500 (EST) Received: from cacr.ioc.ac.ru (nmr-v [193.233.3.213]) by cacr.ioc.ac.ru (8.8.8/EM.SRV.10.8) with ESMTP id NAA26846 for ; Sun, 20 Dec 1998 13:08:01 +0300 (MSK) Message-ID: <367D68AD.6C8817D4@cacr.ioc.ac.ru> Date: Sun, 20 Dec 1998 13:14:21 -0800 From: val Reply-To: val@cacr.ioc.ac.ru Organization: IOC X-Mailer: Mozilla 4.04 [en] (Win16; I) MIME-Version: 1.0 To: CCL_post Subject: rMD/NMR in Water - SUMMARY Content-Type: text/plain; charset=koi8-r Content-Transfer-Encoding: 7bit Daer CCL'ers, Some time ago I have asked about the freeware restrained Molecular Dynamics programs to calculate DNA molecules structure using NMR derived restrains (in explicit Water solution if possible). The following programs were recommended: GROMACS http://rugmd4.chem.rug.nl/~gmx TINKER http://dasher.wustl.edu/tinker/ NAMD/VMD http://www.ks.uiuc.edu/Research/ AMBER http://www.amber.ucsf.edu/amber/amber.html (commercial!) I thank to David van der Spoel, Ramon Kleber da Rocha and David Case for the replies. best regards, Valentin. ==================================================================== , , , , Valentin P. Ananikov |\\\\ ////| /////| NMR Group | \\\|/// | ///// | ND Zelinsky Institute of Organic Chemistry | |~~~| | |~~~| | Leninsky Prospect 47 | |===| | |===| | Moscow 117913 | | | | | | | Russia | | A | | | Z | | \ | | / | | / e-mail: val@cacr.ioc.ac.ru \|===|/ |===|/ http://nmr.ioc.ac.ru/Staff/AnanikovVP/ '---' '---' Fax +7 (095)1355328 Phone +7 (095)9383536 ====================================================================