On Thu, 17 Aug 2017 18:24:00 +0000
Roma Mukhopadhyay <roma1988.nmsu.edu> wrote:
> Hi all,
>
> I want to do the pKa Tutorial as in
> http://ambermd.org/tutorials/advanced/tutorial6/section1.htm, but i
> want to use Pmemd instead of Sander.
Have a look into the A9 tutorial to get and idea how TI/FEP works with
pmemd.
> But I am having trouble with the leap program not being able to
> understand the two separate molecules.
You would need to provide full details here before anyone will be able
to help you.
Cheers,
Hannes.
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Received on Fri Aug 18 2017 - 00:30:02 PDT
