Dear 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?
"scrf=cpcm" is enough. Default solvent is H2O. Gaussian works irrespective of order. So your ordering is fine.
Basis set and functional depends on the type of molecules you are studying. If you give more information of your system the discussion can be carried forward.
Your other questions are not clear enough. Please elaborate.
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