On Mon, Sep 23, 2013 at 7:36 PM, sudipta <sudipta.mml.gmail.com> wrote:
> Do I need to download ambertools13. I have not done that. Rather, I ran the
> commands that you mentioned in the previous mail. However, the second
> command line didn't work and I just use the 'make install' for that.
> Moreover, i used -mpi flag in the first command line to install the MPI
> version of that.
>
Check the output of
$AMBERHOME/update_amber --version
What does it say?
Do the MMPBSA.py tests pass? (Go to $AMBERHOME/AmberTools/test and run the
command "make test.mmpbsa").
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Mon Sep 23 2013 - 17:00:03 PDT
