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

From: Hadeer ELHabashy <hadeer.elhabashi.gmail.com>
Date: Mon, 26 Oct 2015 14:58:23 +0200

Dear Dr.Jason

I have Amber12 but AmberTools15
I ran the "make test.parmed", it was done successfully !
No, I did not install any other version of ParmEd .

I tried one more time and I am still having this error
Regards


On Mon, Oct 26, 2015 at 2:37 PM, Jason Swails <jason.swails.gmail.com>
wrote:

> On Mon, Oct 26, 2015 at 7:41 AM, Hadeer ELHabashy <
> hadeer.elhabashi.gmail.com> wrote:
>
> > I tried
> >
> > python $AMBERHOME/bin/parmed.py -p mol.top -inpcrd mol.crd script.in
> >
> > with this script.in
> >
> > printdetails :MET.O
> > printdetails :MET.OXT
> > parmout details.out
> >
> >
> > However, I got this error
> >
> > Loaded Amber topology file mol.top
> > Traceback (most recent call last):
> > File "amber12/bin/parmed.py", line 126, in <module>
> > amber_prmtop.add_parm(parm)
> > File "/amber12/lib/python2.7/site-packages/ParmedTools/parmlist.py",
> line
> > 34, in add_parm
> > parm = load_file(parm)
> > File
> "amber12/lib/python2.7/site-packages/chemistry/formats/registry.py",
> > line 119, in load_file
> > name, arg)
> > TypeError: not enough arguments for format string
> >
> > Any suggestion ?!
> >
>
> ​What version of Amber are you using? Your path says "amber12", but the
> traceback you're showing contains code that is only part of AmberTools 15.
> So I'm confused.​
>
> The "printDetails" commands work fine for me using an AmberTools 15
> release. If you go to $AMBERHOME/AmberTools/test and run the command "make
> test.parmed", does it finish successfully?
>
> ​Did you install any other version of ParmEd into the Amber directory at
> any point? (perhaps from Github?)
>
> All the best,
> Jason
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Oct 26 2015 - 06:00:11 PDT
Custom Search