My suggestion is to visualize your trajectory files with your topology
files and see if anything looks blatantly wrong. That is usually the
reason these things happen.
If that is not the case, there's not much more we can help with the
information provided.
HTH,
Jason
On Sun, Jun 24, 2012 at 2:57 PM, <moitrayee.mbu.iisc.ernet.in> wrote:
> Dear Amber Users,
>
> I am trying to obtain pairwise residue reasidue interaction energy using
> decomp
> module in mm-pbsa. After decomposition for some snapshots, I get the
> following
> output. I do not understand why am I getting the ********.
>
> TDC 1-> 3 0.000 ********* 18.349 -4.016 -240.501
> TDC 2-> 2 0.000 ********* 26.814 -2.104 690.361
> TDC 3-> 1 0.000 ********* 18.349 -4.016 -266.129
> TDC 4-> 4 0.000 ********* 83.395 -71.210 789.555
> TDC 5-> 5 0.000 ********* 21.856 -71.270 891.306
> TDC 6-> 6 0.000 ********* 34.635 -13.629 1043.159
> TDC 7-> 7 0.000 ********* 36.505 -14.867 932.550
> TDC 8-> 8 0.000 ********* 71.767 -71.457 1362.674
> TDC 9-> 9 0.000 ********* -100.322 -58.577 955.831
> TDC 12-> 12 0.000 ********* 80.346 -98.027 737.474
>
> Any help would be very helpful.
>
> Thanks and Regards,
> Moitrayee
>
>
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--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Sun Jun 24 2012 - 14:30:02 PDT
