Dear,
When I want to use antechamber script to transform a molecular in pdb
format to mol2 format, it returns the error information as:
Running: /usr/local/amber9/exe/atomtype -i ANTECHAMBER_AC.AC0 -o
ANTECHAMBER_AC.AC -p gaff
Total number of electrons: 245; net charge: 0
Number of electrons is odd: 245
Please check the total charge and your -nc flag
However, when I check my molecular, I found no problem. How can I solve
this problem?
The pdb file of the molecular is attached for your information.
Rgds,
C.Q.
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Received on Thu Jan 10 2013 - 19:30:03 PST
