From ivarm _-at-_)boc.ic.ee Fri Jan 20 05:38:08 1995 Received: from argus.chemnet.ee for ivarm*- at -*boc.ic.ee by www.ccl.net (8.6.9/930601.1506) id EAA14905; Fri, 20 Jan 1995 04:48:05 -0500 Received: from boc.ic.ee (boc.ic.ee [193.40.250.200]) by argus.chemnet.ee (8.6.9/8.6.9) with SMTP id LAA04623 for ; Fri, 20 Jan 1995 11:42:22 +0200 Received: from argus.chemnet.ee by boc.ic.ee id aa09732; Fri, 20 Jan 95 11:48:13 estonia From: "Ivar Martin" Date: Fri, 20 Jan 95 11:46:51 EST Message-Id: <1995.ivarm&$at$&boc.ic.ee_POPMail/PC_3.2.2> Reply-To: X-POPmail-Charset: English To: chemistry*- at -*ccl.net Subject: Molecular Dynamics for MOPAC Hi, 1) does anyone know how to run molecular dynamics with MOPAC 6.0 like one can run it in HyperChem (combining AM1, PM3 etc. with molecular dynamics simulation). 2) Is there a general concept how to find global energy minimum by molecular dynamics simulation. Overview references would be great. Thanks _______________________________ Ivar Martin, Department of Bioorganic Chemistry tel: +372 2 526510 Institute of Chemistry fax: +372 2 536371 Akadeemia tee 15 EE0026 e-mail: ivarm ":at:" boc.ic.ee Tallinn, ESTONIA