Re: [AMBER] Error in minimization

From: Jason Swails <jason.swails.gmail.com>
Date: Wed, 6 Jun 2012 09:40:14 -0400

try adding a blank line at the bottom of the file.

On Wed, Jun 6, 2012 at 12:28 AM, Asma Abro 28-FBAS/MSBI/F09 <
asma.msbi28.iiu.edu.pk> wrote:

> Hi,
>
> I am still getting the same error even after replacing the forward slash
> with &end. Any other suggestions from anyone please...
>
> Asma
>
> On Tue, Jun 5, 2012 at 4:18 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
>
> > Hi,
> >
> > Try replacing the forward slash with '&end' and see if that works.
> >
> > -Dan
> >
> > On Tue, Jun 5, 2012 at 3:37 AM, Asma Abro 28-FBAS/MSBI/F09
> > <asma.msbi28.iiu.edu.pk> wrote:
> > > Yeah, it's not the problem.
> > > I am posting the file here:
> > >
> > > Mini input
> > >
> > > &cntrl
> > > imin=1, maxcyc = 200, ncyc = 50,
> > > ntb = 0, igb = 1, cut = 10,
> > > ntpr = 100
> > > /
> > >
> > > Regards
> > >
> > > On Tue, Jun 5, 2012 at 12:26 PM, Ben Roberts <ben.roberts.geek.nz>
> > wrote:
> > >
> > >> Hi Asma,
> > >>
> > >> (answer below)
> > >>
> > >> On 5/06/2012, at 6:24 PM, Asma Abro 28-FBAS/MSBI/F09 wrote:
> > >>
> > >> > Hi all,
> > >> >
> > >> > When I am trying to minimize my pdb structure, I am getting the
> error:
> > >> >
> > >> > At line 901 of file _mdread.f (unit = 5, file = 'min.in')
> > >> > Fortran runtime error: End of file
> > >> >
> > >> > Can anyone tell what does this mean?
> > >>
> > >> My guess is that it means your input file, which you say is called "
> > min.in",
> > >> has been cut short in some way, probably because you forgot to
> include a
> > >> final line containing only a forward slash (/). If that's not the
> > problem,
> > >> please post the entire min.in to this list so we can better advise
> you.
> > >>
> > >> Regards,
> > >> Ben
> > >>
> > >>
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> >
> >
> > --
> > -------------------------
> > Daniel R. Roe, PhD
> > Lab Specialist
> > 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/
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> >
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>



-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Wed Jun 06 2012 - 07:00:04 PDT
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