Re: [AMBER] Error in minimization

From: Asma Abro 28-FBAS/MSBI/F09 <asma.msbi28.iiu.edu.pk>
Date: Wed, 6 Jun 2012 09:28:18 +0500

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
> >>
> >>
> >> _______________________________________________
> >> 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
>
>
>
> --
> -------------------------
> 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/
> (801) 587-9652
> (801) 585-9119 (Fax)
>
> _______________________________________________
> 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 Tue Jun 05 2012 - 21:30:02 PDT
Custom Search