> set default PBradii bondi
...
> addIons hcam Na+ 0
] when I did minimization using sander, the
] atom type IP which is correspond to the counter
] ion Na+ was not recognized. [gbsa = 1,]
I'm not sure how the gbsa part works, but using the
actual IP residue is worth a try:
> addIons hcam IP 0
Bill Ross
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Received on Thu Mar 28 2002 - 16:14:16 PST
