Dear amber users,
I try to calculate the binding free energy of an inhibitor and a protein with MM/PBSA using Amber9,
but it stopped and the output tell me that"PB Bomb in pb_aaradi(): No radius assigned for atom
4474 F3 f". and there is a fluorin atom in the inhibitor, so how to fix it, if I should add some
radius parameters for fluorin, which file should be modified, and what parameter should I use?
thanks in advance!
emilia wu
emiliawu.dicp.ac.cn
2007-01-19
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Received on Sun Jan 21 2007 - 06:07:36 PST
