Dear Amber developers and users
I am following the tutorial
https://ambermd.org/tutorials/advanced/tutorial20/mcpbpy_heme.php
When I run MCPB.py -i 4ZF6.in -s 1,
I got an error message "KeyError: 'H262". The log file is attached.
Could you please help me with this? Thanks,
Wu
Dr. Wu Xu
Professor of Biochemistry
Department of Chemistry
Room No. 138, Montgomery Hall
300 E. St. Mary BLVD
P.O. Box 43700
University of Louisiana at Lafayette
Lafayette, LA 70504
Telephone: 337-482-5684 (office)
337-482-6739 (lab)
Fax: 337-482-5676
Email: wxx6941.louisiana.edu<mailto:wxx6941.louisiana.edu>
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- application/octet-stream attachment: test.log
Received on Thu Oct 15 2020 - 20:30:02 PDT
