Hi Aini,
Have you checked if your *all.out files contain a line for surface value
on the first snapshot? If no surface is available, mm_pbsa usually takes
the number from the snapshot before, but fails if that happens on the very
first snapshot.
I usually copied the surface line from the last snapshot into the first
one in the all.out files to solve this.
Regards,
Thomas
On Mon, 10 May 2004 aini.UMDNJ.EDU wrote:
> Dear Amber users,
>
> I am using MM_PBSA (amber 7) to calculate free energies of binding of a
> complex on a red hat linux machine. I followed the example mm_pbsa.in file
> in /amber7/src/examples/03_MMPBSA_Binding. I got *_com.all.out.save,
> *_lig.all.out.save and *_rec.all.out.save. However, when the progam went to
> statistics step, an error message
> "use of uninitialized value in multiplication (*) at
> /usr/local/amber7/src/mm_pbsa/mm_pbsa_statistics.pm line 1323.
>
> Program stopped without *_statistics.out.save. Does someone know what may
> cause this?
> Thank you very much!
>
> aini
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Received on Tue May 11 2004 - 02:53:00 PDT
