you said your ligand is:2naa_mol2files but error says: naa_mol2files not
found. Could you correct your file name and try again please?
ışılay öztürk via AMBER <amber.ambermd.org>, 13 Eki 2022 Per, 00:13
tarihinde şunu yazdı:
> Dear all,
> Dear all,
>
> I have some problem about using *MCPB.py. *
> https://ambermd.org/tutorials/advanced/tutorial20/mcpbpy_heme.htm
> https://ambermd.org/tutorials/advanced/tutorial20/mcpbpy.htm
>
> I am trying to apply these tutorials to my structure. but It is always
> giving to this error: Traceback (most recent call last):
> File "/usr/local/amber20/bin/MCPB.py", line 581, in <module>
> raise pymsmtError('%s is required in naa_mol2files but not '
> pymsmt.exp.pymsmtError: LIG is required in naa_mol2files but not provided.
>
> If I am not wrong "2naa_mol2files " is defining to my ligand part.
>
> So How can I fix this problem?
>
> Thank you in advance
>
> Best,
>
> Işılay
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Received on Thu Oct 27 2022 - 03:00:02 PDT
