Version is reported as <version>.<patches applied>
AmberTools version 13.18
Amber version 12.19
yes, the MMPBSA.py passes the test run. I can see all of those outputs
On Mon, Sep 23, 2013 at 7:56 PM, Jason Swails <jason.swails.gmail.com>wrote:
> 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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>
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Received on Mon Sep 23 2013 - 17:30:02 PDT
