Can you show your input? And what is on lines 76 and 260 of
mm_pbsa_readinput.pm?
-Bill
On Fri, Oct 29, 2010 at 10:50 AM, bin wang <wang_p_z.yahoo.com.cn> wrote:
> Hello,
> I use the binding_energy.mmpbsa from the tutorial A3 to calculate binding
> energy. But I got these error messages:
> Use of uninitialized value in concatenation (.) or string at
> /usr/local/amber10/src/mm_pbsa/mm_pbsa_readinput.pm line 76, <IN> line 59.
> Use of uninitialized value in hash element at
> /usr/local/amber10/src/mm_pbsa/mm_pbsa_readinput.pm line 260, <IN> line
> 59.
> /usr/local/amber10/exe/sander -O -i pbsa_com.in -o pbsa_com.1.out
> -c
> ./snapshot_com.crd.1 -p ./com_vac.prmtop not successful
>
> I checked the mm_pbsa_readinput.pm, but don't know what I should do.
> Could
> anibody help me? Thank you.
>
>
>
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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 Fri Oct 29 2010 - 08:30:03 PDT
