[AMBER] using MCPB.py

From: ışılay öztürk via AMBER <amber.ambermd.org>
Date: Thu, 13 Oct 2022 00:12:58 +0300

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
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Oct 12 2022 - 14:30:02 PDT