Hi,
I am trying to build a system of gp41 peptide by using force field ff99SB and ff12SB under surface area. I use the command "set default PBradii mbondi2" to prepare the prmtop file. But I don't know which value I should choose for igb in the mdin file, igb=2 or igb=5? Which one is better for the force field ff99SB and ff12SB?
Best,
Elaine
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Received on Wed Aug 22 2012 - 12:00:04 PDT
