AMBER Archive (2002)

Subject: Re: Problem with atom type

From: Bill Ross (photoriot_at_yahoo.com)
Date: Thu Mar 28 2002 - 18:14:16 CST

> 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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