Hi Katie,
MCPB.py has an optimized workflow and is much easier to use than MCPB. I suggest you to use MCPB.py instead. Here is a tutorial: http://ambermd.org/tutorials/advanced/tutorial20/mcpbpy.htm <http://ambermd.org/tutorials/advanced/tutorial20/mcpbpy.htm>.
Kind regards,
Pengfei
> On Feb 2, 2017, at 11:08 AM, Corum, Katharine W <katharine-corum.uiowa.edu> wrote:
>
> Hi Everyone, I am learning how to use MCPB so I can do a QM/MM calculation on a protein with a metal using Amber16. I read in the Amber16 manual that MCPB was built using the MTK++ Application Program Interface and the manual can be found in:
>
>
> $AMBERHOME/doc/MTKpp.pdf
>
>
> I don't have this pdf in my $AMBERHOME/doc directory. I have not been able to find it in AmberTools16 directories either. Where could I possible find it?
>
>
> Thanks in advance!
>
> Katie
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Received on Thu Feb 02 2017 - 09:30:03 PST
