After updating my FORTRAN compiler g77 this error is now fixed.
Thanks all for their cooperation.
Regards
Imtiaz
On 2 February 2010 07:53, imtiaz shafiq <imtiazshafiq.gmail.com> wrote:
> I have tried changing xlf to g77 but now I am receiving the following error,
>
>
> ld: in /Users/imtiaz/parameter, can't map file, errno=22
> collect2: ld returned 1 exit status
> ./a.out: Command not found.
>
>
> I have tried learning and fixing this error, but still with no
> success. I am confident somebody here may have some fix to this issue.
>
> Regards
> Imtiaz
>
> On 1 February 2010 15:54, Jason Swails <jason.swails.gmail.com> wrote:
>> Hello,
>>
>> On Mon, Feb 1, 2010 at 10:44 AM, imtiaz shafiq <imtiazshafiq.gmail.com> wrote:
>>> I have got the Gaussian output for a ligand. Now I want to get
>>> parametrize this ligand.
>>>
>>> I have look at the Amber Tutorials and found the following scrip
>>> (shown below) which convert Gaussian output format to the RESP input
>>> format. I have tried this script but my system is complaining xlf not
>>> found. Google search revealed me that xlf is a XL Fortran for IBM
>>
>> this is true, xlf is IBM's fortran compiler for their hardware. Any
>> other fortran compiler should do (i.e. ifort/gfortran/g95/g77 (if
>> readit.f is fortran77 code, but the others would be safer choices).
>> Just replace xlf with the fortran compiler you have.
>>
>>> machines. Now I would like to know is there any alternate to xlf or
>>> any other way to parametrize ligand
>>>
>>>
>>> #!/bin/csh
>>> xlf /usr/local/apps/amber9/src/resp/readit.f
>>> grep "Atomic Center " $1 > a
>>> grep "ESP Fit" $1 > b
>>> grep "Fit " $1 > c
>>> ./a.out
>>> rm -f a b c a.out readit.o
>>>
>>
>>
>> Good luck!
>> Jason
>>
>> --
>> ---------------------------------------
>> Jason M. Swails
>> Quantum Theory Project,
>> University of Florida
>> Ph.D. Graduate Student
>> 352-392-4032
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>
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Received on Tue Feb 02 2010 - 01:00:02 PST
