CCL:G: Conformational search
- From: "Raphael Martinez"
<raphaelmartinez1983|-|gmail.com>
- Subject: CCL:G: Conformational search
- Date: Fri, 17 Feb 2012 18:51:37 -0500
Sent to CCL by: "Raphael Martinez" [raphaelmartinez1983(-)gmail.com]
Hi Everyone,
Is it possible to do a conformational search in Gaussian without specifying an
specific parameter to change? I mean just to draw a molecule and
"tell" Gaussian to search for "all" possible conformation
that are close in energy to the minimum. If this is possible, how can I do it?
how would be the command line in the input file?
I do not know if I made my self clear, it is just that I use to do this with
Hyperchem, just draw the molecule and run a conformational search
Thanks a lot for the help