Hi all
I changed the name of lig.pdb file name to the same name which appears in its complex with protein. but it is not accepting it. do i have to repeat whole process i.e. first correction of pdb file then its conversion to mol2 and frcmod file generation and then leap.
> Date: Thu, 3 Apr 2014 10:06:06 -0600
> From: daniel.r.roe.gmail.com
> To: amber.ambermd.org
> Subject: Re: [AMBER] leap error
>
> You need to be more specific than 'xleap is not working'. What happens when
> you try to run it? Does it produce any output at all?
>
> -Dan
>
>
> On Thu, Apr 3, 2014 at 10:02 AM, sammia khatak <saammia_kt.hotmail.com>wrote:
>
> > Thanks but what about xleap. Is there some installation problem that xleap
> > is not working. secondly do i have to change ligand name in protein ligand
> > complex.
> >
> > > From: jason.swails.gmail.com
> > > To: amber.ambermd.org
> > > Date: Thu, 3 Apr 2014 11:57:22 -0400
> > > Subject: Re: [AMBER] leap error
> > >
> > > On Thu, 2014-04-03 at 20:49 +0500, sammia khatak wrote:
> > > > Hi AllI am getting this error each time i load protein complex in
> > > > tleap.Please check attach file.Secondly i have installed licensed
> > > > version of Amber12 but in it xleap is not running, suggest please.
> > > >
> > >
> > > If you google the error message you get links to previous emails that
> > > discuss this problem and how to fix it:
> > >
> > > https://www.google.com/search?q=FATAL%3A+Atom+.R%3CF9F+249%3E.A%3CC1+1%
> > > 3E+does+not+have+a+type.&oq=FATAL%3A+Atom+.R%3CF9F+249%3E.A%3CC1+1%3E
> > > +does+not+have+a
> > > +type.&aqs=chrome..69i57j69i58.1083j0j1&sourceid=chrome&ie=UTF-8#q=amber
> > > +FATAL%3A+Atom+does+not+have+a+type.
> > >
> > > (Google "amber FATAL: Atom does not have a type"
> > >
> > > HTH,
> > > Jason
> > >
> > > --
> > > Jason M. Swails
> > > BioMaPS,
> > > Rutgers University
> > > Postdoctoral Researcher
> > >
> > >
> > > _______________________________________________
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> >
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> >
>
>
>
> --
> -------------------------
> Daniel R. Roe, PhD
> Department of Medicinal Chemistry
> University of Utah
> 30 South 2000 East, Room 201
> Salt Lake City, UT 84112-5820
> http://home.chpc.utah.edu/~cheatham/
> (801) 587-9652
> (801) 585-6208 (Fax)
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Received on Thu Apr 03 2014 - 10:30:02 PDT
