CCL:G: Increase no. of steps for geometry optimization using UFF in G03
- From: "Patrick Pang" <skpang-$-ctimail.com>
- Subject: CCL:G: Increase no. of steps for geometry optimization
using UFF in G03
- Date: Fri, 23 Feb 2007 02:18:09 -0500
Sent to CCL by: "Patrick Pang" [skpang:-:ctimail.com]
Dear all,
I try to optimize DNA (12 base pairs) geometry using UFF implemented in Gaussian
03 but it is terminated at 5000 step.
Do you know how to increase the number of steps for geometry optimization when
UFF implemented in Gaussian 03 is employed?
Thank you for your attention!
Patrick Pang
My e-mail address is: skpang() ctimail.com