Re: [AMBER] Error in minimization

From: Asma Abro 28-FBAS/MSBI/F09 <asma.msbi28.iiu.edu.pk>
Date: Tue, 5 Jun 2012 12:37:00 +0500

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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Received on Tue Jun 05 2012 - 01:00:03 PDT
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