Hi all,
I am calculating the geometry of a sugar by Gaussian. I would like to fix the
geometry of the sugar ring and let other atoms optimized. My question is how
can I write the input Gaussian job file and is there any software to help me to
do that?
Thank you
--
Dr. Bo Liu
Physical and Theoretical chemistry Lab. Oxford Univ., South Park Rd. OX1 3QZ
Phone: +44 (0)1865 275 469 (office), +44 (0)1865 275 447 (lab)
fax : +44 (0)1865 275 410
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