*AMBER ADVANCED TUTORIALS TUTORIAL 3 - **MM-PBSA*
*In the last calculation of this tutorial, the binding_energy.mmpbsa there
is a mismatch error for the total number of atoms in the prmtop file and
the coordinates file.*
*I was using my own protein system, not the suggested ras-raf. When I was
investigating the ras-raf files I noticed that also the total number of
atoms in the ras-raf file is over 30000, but in the extract_coords.mmpbsa
the number is 42193.*
*Can anybody suggest an explanation or idea where to find the right number
of atoms. I have made it all the way to this point.*
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Received on Thu Dec 15 2011 - 23:30:02 PST
