There is obviously some issue mm_pbsa_readinput.pm is having with reading
your mm_pbsa.pl input file. Based on the line numbers given, it looks like
your ligand prmtop file may not exist with the path given in your input
file. However, without seeing your mm_pbsa.pl input file, the error is a
little harder to diagnose. Regardless, there is definitely some incorrect in
your input file you provided to mm_pbsa.pl.
-Bill
On Sun, Oct 17, 2010 at 10:19 AM, yan zhang <yanzhang086.gmail.com> wrote:
> Hello sir ,
>
> I use amber 9 to calculate mm_pbsa using my own complex . I operated it
> according to the tutorials step by step ,
> but when i executed $AMBERHOME/exe/mm_pbsa.pl binding_energy.mmpbsa >
> binding_energy.log ,
> it showed
> ' Use of uninitialized value in concatenation (.) or string at
> /../amber9/src/mm_pbsa/mm_pbsa_readinput.pm line 76, <IN> line 210.
> Use of uninitialized value in hash element at /../amber9/src/mm_pbsa/
> mm_pbsa_readinput.pm line 260, <IN> line 210.
> Died at /../amber9/src/mm_pbsa/mm_pbsa_readinput.pm line 362.'
> The job was failed . I attched the corresponding files in the accessories.
> Is there something wrong with mm_pbsa_readinput.pm file ?
> Look forward for your reply.
> Thanks,
>
> Sincerely, ZhangYan
>
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>
>
--
Bill Miller III
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-6715
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Received on Sun Oct 17 2010 - 08:00:02 PDT
