Re: [AMBER] How can amber differentiate between terminal Oxygens

From: Hadeer ELHabashy <hadeer.elhabashi.gmail.com>
Date: Tue, 27 Oct 2015 12:58:55 +0200

Fine, I am going to re-install it again upon your recommendation !
Thanks !

On Mon, Oct 26, 2015 at 6:19 PM, Jason Swails <jason.swails.gmail.com>
wrote:

> On Mon, Oct 26, 2015 at 10:29 AM, Hadeer ELHabashy <
> hadeer.elhabashi.gmail.com> wrote:
>
> > that is what exactly I have done
> >
> > I uninstalled AMBER and replaced AmberTools13 with AmberTool15
> > then I did " make clean " and I reinstalled AMBER12 along side with
> > AmberTools15 together.
> >
>
> ​In the same directory? What is the full path of pmemd? What is the full
> path of parmed.py from AmberTools 15?
> ​
>
>
> > and by the way, when I ran my command, parmed started to work
> >
> > _____
> > __...---'-----`---...__
> > _===============================
> > ______________,/' `---..._______...---'
> > (______________). . ,--'
> > / /.---' `. /
> > '--------_ - - - - _/ P A R M E D
> > `~~~~~~~~'
> >
> > ParmEd: a Parameter file Editor
> >
> > but it stopped then due to this error I sent before .
> > I think that is saying " ParmEd can run .
> >
>
> ​The error you printed was showing that source code that *only exists* in
> AmberTools 15 was present in a directory called amber12. The only way I
> can think that this could have happened is that you unpacked
> AmberTools15.tar.bz2, renamed "amber14" to "amber12", then unpacked
> Amber12.tar.bz2 into the same directory. Or something similar to that.
>
> As I said in my last email, *you can't do this* and expect it to work. I
> made an entire webpage to help describe how to install AmberTools 15
> alongside an older version of Amber.
>
> If this is not what you did, then you will have to help me understand how
> AmberTools 15 modules became installed to an Amber 12 source tree. Because
> that should never happen.
>
> HTH,
> Jason​
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
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>
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Received on Tue Oct 27 2015 - 04:00:05 PDT
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