Hi Xiaonan,
There may be some errors in your input file. Can you send me the input PDB files and mol2 files in an independent email (to ambermailpengfei.gmail.com)?
Pengfei
> On Jan 22, 2016, at 1:48 AM, chemjxn <chemjxn.126.com> wrote:
>
> Hello,
> I want to use MCPB.py to parameterize. When I perform "MCPB.py -i 2pou.in -s 1a", there is an error. How can I deal with it? Thank you for your help.
>
>
>
>
>
>
> Jiang Xiaonan<error.png><2pou.in>_______________________________________________
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Received on Fri Jan 22 2016 - 08:30:03 PST
