CCL:G: runing in gaussian 09
- From: "fateme sabzalizade"
<fatemesabzalizade/a\gmail.com>
- Subject: CCL:G: runing in gaussian 09
- 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