Dear Amber users, I have got a question about mmpbsa pairwise free energy
decomposition.
I'm a newbie and I got a strange results after a MMPBSA pairwise
decomposition analyses.
I put here a fragment of my output ( com.all.out)
TDC 88-> 88 0.000 2.605 64.271 -55.188 688.468
TDC 88-> 89 0.000 -0.005 -17.969 -1.478 -171.075
TDC 88-> 90 0.000 -0.552 2.381 -0.557 -31.855
TDC 88-> 91 0.000 -1.003 14.905 -14.683 -80.945
TDC 88-> 92 0.000 -0.493 -16.797 14.611 -43.912
TDC 88-> 93 0.000 - 0.072 0.418 -0.217 -1.462
as you can see, the last column (SASA) present negative values but I can't
understand how a surface
can result negative.
Any suggest will be appreciated.
Best Regards,
Gianluca
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Mar 18 2007 - 06:07:10 PDT
