Look closely at the line referred to, note the lack of numbers.
Evidently this caused leap to assume the line is an unknown keyword.
Bill
ANGL
2C-Y1-M1
2C-Y2-M1
2C-Y4-M1
M1-Y1-HS
M1-Y2-HS
M1-Y3-CX
M1-Y3-H
M1-Y4-HS
Y1-M1-Y2
Y1-M1-Y3
Y1-M1-Y4
Y2-M1-Y3
Y2-M1-Y4
Y3-M1-Y4
2C-Y1-HS 43.0 96.00
2C-Y2-HS 43.0 96.00
On 9/19/18 2:55 AM, Sushi Shilpa wrote:
> Dear Amber Users,
>
> I am trying to create topology and coordinate files for the protein which
> contains metal ion in it.
> I am following MCPB.py bonded model tutorial.
> While creating the topology and coordinates files I got an error, given
> below
>
>
> *home/guest/Documents/shilpa/software/amber18/bin/teLeap: Warning!Unknown
> keyword (2C-Y2-M1) in parameter file. Perhaps a format issue?*
> I have attached the tleap.in and tleap.out files, please find the attachment
>
> Please help me to solve this issue.
>
> Thanks in advance
> Sincerely,
>
> Shilpa T
>
>
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Received on Wed Sep 19 2018 - 03:30:02 PDT
