Hello Hai,
They were both installed at the same time for a build of Amber16 with
updates up to update.20 for AmberTools and update update.6 for Amber16.
The installation is on a Rocks 6.2 Linux cluster, and cpptraj was built
with and without MPI support. I am not entirely sure what other
information you would like as it relates to the installation, but I would
be more than happy to supply it.
Take care,
Samuel Bowerman
Ph.D. Candidate
Department of Physics
Illinois Institute of Technology
On Tue, Mar 21, 2017 at 4:35 PM, Hai Nguyen <nhai.qn.gmail.com> wrote:
> hi can you tell us how did you install pytraj and cpptraj?
>
> Hai
>
> On Tue, Mar 21, 2017 at 5:20 PM, Samuel Bowerman <sbowerma.hawk.iit.edu>
> wrote:
>
> > Hello Amber community,
> >
> > I have put together a little python script to play with the "pytraj"
> module
> > for pipelining some data processing. However, if I try to import the
> > pytraj module, then I am met with the following error:
> >
> > RuntimeError("need to have cpptraj version >= v4.2.7")
> >
> > I don't really know why I'm getting this error because calling "cpptraj
> > --version" shows that v16.6 is the default cpptraj in my path. I have
> also
> > confirmed that my python version matches that used by the AmberTools
> > installation (v2.7). Are there any ideas what the source of this error
> may
> > be and how to resolve it? In theory, I suppose I could silence the error
> > check and hope for the best, but I'd like to avoid that if at all
> possible,
> > since it is likely there for a very good reason! Thanks in advance for
> any
> > assistance!
> >
> > Take care,
> > Samuel Bowerman
> > Ph.D. Candidate
> > Department of Physics
> > Illinois Institute of Technology
> > _______________________________________________
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> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
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Received on Tue Mar 21 2017 - 15:30:03 PDT
