I am trying to calculate binding energy of the complex using MM-PBSA and
GBSA methods. The GBSA calculations are working fine. I have heated and
equilibrated the system for 10ns under explicit solvent method using amber8.
Now, I am trying to calculate the binding energy for the last 5ns. When I
am running the binding_mmpbsa script I am getting the following error.
PB bomb in pb_reslist (): maxnbr too small. As per the suggestions given in
the prevoius amber mails and Ray, I have varied the cutres from 10, 15, 20,
25 ,and 30. Still I am getting the same error. What else should be done?
manikanthan
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Received on Tue Feb 22 2011 - 11:30:08 PST
