Re: Problem with atom type

From: Bill Ross <photoriot_at_yahoo.com>
Date: Thu 28 Mar 2002 16:14:16 -0800 (PST)

> 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

__________________________________________________
Do You Yahoo!?
Yahoo! Movies - coverage of the 74th Academy Awards®
http://movies.yahoo.com/
Received on Thu Mar 28 2002 - 16:14:16 PST
Custom Search