Re: [AMBER] MMPB (GB) SA cpptraj failed with prmtop

From: Jason Swails <jason.swails.gmail.com>
Date: Wed, 10 Feb 2016 21:15:44 -0500

Have you tried yet with AmberTools 15?

On Wed, Feb 10, 2016 at 6:42 PM, Arati Paudyal <apsilwal123.gmail.com>
wrote:

> Thanks Jason,
>
> Could you please provide some details on how one might access those hidden
> files? Is it stores in some kind of files or do we need to extract it? I am
> kind of new here in Amber. Any help would be greatly appreciated.
>
> Also, if I email you the original PDB and prmtop files, is there anyway you
> would have time to look at those and see if I am doing anything wrong in
> separating those two individual PDBs from the complex? I will email those
> to your gmail if it is ok with you.
>
>
>
> Thanks again for your valuable time.
>
> On Wed, Feb 10, 2016 at 12:00 PM, Jason Swails <jason.swails.gmail.com>
> wrote:
>
> > On Wed, Feb 10, 2016 at 10:53 AM, Arati Paudyal <apsilwal123.gmail.com>
> > wrote:
> >
> > > Thanks for your reply,
> > >
> > > I will try to upgrade to Ambertools 15. But since the tutorial works
> just
> > > fine, do you think this could be any issue related to upgrade though? I
> > > will follow your suggestion and see how this goes.
> > >
> >
> > ​We would need to see the output from cpptraj as it tried to compute
> > surface areas. There's almost certainly an error message hidden in there
> > that will tell us what the problem is.
> >
> > HTH,
> > 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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>



-- 
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Wed Feb 10 2016 - 18:30:04 PST
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