[AMBER] Problem in MM-PBSA decomp module

From: <moitrayee.mbu.iisc.ernet.in>
Date: Mon, 25 Jun 2012 00:27:13 +0530 (IST)

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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Received on Sun Jun 24 2012 - 12:00:03 PDT
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