This has been reported before, has something to do with the molsurf calculation.
Why not try the latest Amber12 version. The Ambertool is free to upgrade ...
Ray
On Mon, Apr 16, 2012 at 8:30 AM, Prashant Kumar <prashantkbio.gmail.com> wrote:
> Hello,
>
> I am running mmpbsa calculation using amber 11 for 60 sets of small
> molecules dimers(bio-molecule). How ever I am not performing any MD
> calculation rather just calculating electrostatics interaction between them
> in gas phase. For most of them I have done calculation very well but for
> some I am getting error "odd number of probe positions on torus! No data
> for 0+2 PB PBCAV 0" and vertex atom mismatch atom: 4 vertex atom: 5 No
> data for 0+1 PB PBCAV 0 for different 2 sets. I tried to search
> in archive but couldn't find any solution. I will appreciate if some one
> have some suggestion or solution. I have attached both set tar directory in
> attachment.
>
> Best
>
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Received on Mon Apr 16 2012 - 10:00:04 PDT
