From owner-chemistry _-at-_)ccl.net Wed Nov 29 12:10:45 1995 Received: from bedrock.ccl.net for owner-chemistry $#at#$ ccl.net by www.ccl.net (8.6.10/950822.1) id MAA13733; Wed, 29 Nov 1995 12:10:43 -0500 Received: from mserv.rug.ac.be for JeanLuc.Verschelde;at;rug.ac.be by bedrock.ccl.net (8.7.1/950822.1) id MAA20905; Wed, 29 Nov 1995 12:10:39 -0500 (EST) Received: from allserv.rug.ac.be by mserv.rug.ac.be with SMTP id AA08183 (5.67b/IDA-1.5 for ); Wed, 29 Nov 1995 18:10:33 +0100 Received: by allserv.rug.ac.be (5.x/SMI-SVR4) id AA29103; Wed, 29 Nov 1995 18:10:21 +0100 Date: Wed, 29 Nov 1995 18:10:20 +0100 (MET) From: Jean-Luc Verschelde To: OHIO SUPER Subject: solvent continuum Message-Id: Hi all, I want to extend the ECEPP/2 force field with a solvation energy term. Is there a stand-alone package that calculates the energy of solvation and that I can use with the ECEPP/2 f.f. . Thanks, Jean-Luc =================================================================================== Verschelde Jean-Luc University of Ghent Lab. of Physiological Chemistry K.L. Ledeganckstraat 35 9000 Ghent Belgium. Tel.:09/264 53 06 Fax:09/264 53 37 Email:Jeanluc.Verschelde /at\rug.ac.be 46q===================================================================================