Just increase the MAXRING to 100 times of the default size and recompile
the program. I have no trouble to generate the prep file from a mol2
input file for Buckyball.
All the best
==================================================
Dr. Junmei Wang
Chemistry & Biophysics
Encysive Pharmaceuticals Inc.
7000 Fannin, Houston TX 77030
Tel: 713-578-6649
Email: jwang.encysive.com
http://amber.scripps.edu/antechamber/antechamber.html
==================================================
Dear Folks
I wish to work with a large conjugated system, such as Buckyball. On
trying to produce prep file for my molecule by using Antechamber, it
gave
me a message following;
The ring number exceeds MAXRING, increase MAXRING and recompile the
programs, ex
itCannot open file ANTECHAMBER_BOND_TYPE.AC, exit
Would you please provide me a suggestion of which source code and where
should be modified.
Thank you
Toshifumi Yui
Miyazaki University, Miyazaki, Japan
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Received on Wed Sep 07 2005 - 17:53:00 PDT
