A problem about changing CheckPoint file to PDB in G94.
- From: Yubo Fan <yubofan ( ( at ) ) guomai.sh.cn>
- Organization: Department of Chemistry, Fudan University
- Subject: A problem about changing CheckPoint file to PDB in
- Date: Mon, 27 Apr 1998 16:34:10 +0800
I have done a geometry optimization of ferrocene by Cartesian
coordinates input in G94W. After the convergence criteria was reached, I
tried to change the checkpoint file to PDB file but I failed. G94W gave
me a file with PDB extension and its size was 0 byte.
Could you please give me some help? I want to use ferrocene as a group
and add to other molecules. Thank you very much.
With best wishes
Yubo Fan Email: yubofan ( ( at ) ) guomai.sh.cn
Organic Synthesis Lab yubofan ( ( at ) ) fudan.edu.cn
The Department of Chemistry
Fudan University Phone: 8621-65648139
No. 220 Handan Road Fax: 8621-65641740
P. R. China