Dear C.Q.
Can you please mention which command you are running?
Thanks
Ravi
On Fri, Jan 11, 2013 at 8:45 AM, Changqing Yan <ycqchemical.gmail.com>wrote:
> 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 - 21:30:02 PST
