Hi,
In general, the more information you post, the better chance you have
that someone can actually help. You should post the exact contents of
your input file, as well as the version of Amber you are using.
I'm not a MCPB.py expert, but based on the error message, it looks
like you might have a badly formed input coordinate file. If the
coordinate file is a mol2 then there should be a space between the two
numbers (I'm pretty sure mol2 is not fixed-format).
-Dan
On Wed, May 26, 2021 at 9:33 PM Huimin Tian
<201921150072.mail.bnu.edu.cn> wrote:
>
> Hi, my name is Huimin Tian,comes from Beijing Normal University,China.
> I have a problem when performing the final modeling using AMBER.
> I can't generate the mol2 files for the metal site residues with the command:MCPB.py -i 4ZF6.in -s 3,
> and there is hint: ValueError: could not convert string to float: '3.695731-10.570212'.
> So, how can I solve it?
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Received on Thu May 27 2021 - 07:00:03 PDT
