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

From: Hadeer ELHabashy <hadeer.elhabashi.gmail.com>
Date: Mon, 26 Oct 2015 16:29:04 +0200

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.
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 .

Regards


On Mon, Oct 26, 2015 at 4:21 PM, Jason Swails <jason.swails.gmail.com>
wrote:

> On Mon, Oct 26, 2015 at 10:01 AM, Hadeer ELHabashy <
> hadeer.elhabashi.gmail.com> wrote:
>
> > same directory of $AMBERHOME
> >
>
> ​You can't install Amber 12 and AmberTools 15 in the same place and expect
> it to work (I have no idea *what* to expect in this situation). See
> http://jswails.wikidot.com/installing-ambertools-14-and-older-amber for
> more instructions on how to get Amber 12 and AmberTools 15 to coexist
> peacefully.
>
> Note that since you unpacked AmberTools 15 into your amber12 directory, you
> have effectively polluted and destroyed AmberTools 13 (which Amber 12 needs
> in order to build). You may have to delete the whole directory and
> reinstall completely if you ever need to recompile pmemd.
>
> Good luck,
> Jason
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Mon Oct 26 2015 - 07:30:08 PDT
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