From owner-chemistry@ccl.net Wed Sep 10 01:26:00 2014 From: "fateme sabzalizade fatemesabzalizade=gmail.com" To: CCL Subject: CCL:G: runing in gaussian 09 Message-Id: <-50487-140910012351-14574-AeYeSwM4+8I6DcR44tHDwA]=[server.ccl.net> X-Original-From: "fateme sabzalizade" Date: Wed, 10 Sep 2014 01:23:50 -0400 Sent to CCL by: "fateme sabzalizade" [fatemesabzalizade|gmail.com] Hi friends I am working on biomolecule intraction. I have optimized the structure of two my compound in both vacuum as well as solvent(PCM and cpcm model) using b3lyp/6-311++G** basis.for cpcm model I using syntax # b3lyp/6-311++g** opt freq scrf=(cpcm,solvent=H2O) I have several questions about using from Gaussian: 1. I am asking weather this order is correct or not? 2. can I use a solvent except solvents in gaussian09? 3. How I can study biomolecule intraction in natural condition? 4. How I study exchange structural? please help me