Hi all,
I have re-compiled Amber and now its performing the minimization. Thanks to
those who gave their suggestions.
Best Regards
On Wed, Jun 6, 2012 at 9:28 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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>> >>
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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/
>> (801) 587-9652
>> (801) 585-9119 (Fax)
>>
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>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>
>
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Received on Wed Jun 06 2012 - 01:00:03 PDT
