Hi amber users,
When I used apbs to calculate the binding energy between my protein and its ligand, I found the energy value change greatly with the value of the Grid box. So, now I thinks there may be some problem on my calculation. So I want to know, how amber do this job(to adjust the grid-box for different kind of complex with different size)?
( dime 65 97 129
cglen 97.5 145.5 193.5
fglen 65 97 129
cgcent mol 1
fgcent mol 3)
Thanks for your help in advance?
Rilei Yu
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Received on Tue Sep 22 2009 - 16:00:02 PDT
