Hi all,
I'm using mm-pbsa in amber 9. I tried to decompose the interaction between two protein monomer in the pairwise mode. I obtained this output (see below), but I was not able to find anywhere what does each of the five columns of number represent. In the mailing list there is a lot about mm.pbsa, but not on this specifical subject. Does anyone know what is the exact meaning of these numbers?
Thank you in advance
Stefano Pieraccini
MM
GB
MS
1
TDC 1-> 1 0.000 1.443 -3.320 -76.176 608.033
TDC 1-> 2 0.000 -0.174 22.488 -26.127 -186.432
TDC 1-> 3 0.000 -0.327 -19.712 19.485 -19.563
TDC 1-> 4 0.000 -0.015 -1.192 1.088 0.000
TDC 1-> 5 0.000 -0.004 0.187 -0.193 0.000
TDC 1-> 6 0.000 -0.001 -0.156 0.153 0.000
TDC 1-> 7 0.000 0.000 0.042 -0.042 0.000
TDC 1-> 8 0.000 0.000 0.171 -0.168 0.000
TDC 1-> 861 0.000 0.000 -0.041 0.041 0.000
TDC 1-> 862 0.000 0.000 -2.633 2.600 0.000
TDC 1-> 863 0.000 0.000 -0.016 0.016 0.000
TDC 1-> 864 0.000 0.000 -0.004 0.004 0.000
TDC 1-> 865 0.000 0.000 -0.056 0.056 0.000
TDC 1-> 866 0.000 0.000 0.004 -0.004 0.000
TDC 1-> 867 0.000 0.000 0.026 -0.026 0.000
TDC 1-> 868 0.000 0.000 -5.008 4.946 0.000
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Sep 24 2006 - 06:07:09 PDT
