[AMBER] Can i addIons F- Br- I- using AMBER 9

From: MD <ptf1242.163.com>
Date: Mon, 18 Apr 2011 09:35:18 +0800 (CST)

Hi everybody
 
Does AMBER 9 has parameters for F- Br- I-?
I can use addIons2 in AMBER 9, but there is no description of addIons2 in the mannual.
 
I'd like to add ions to water, using the following command,
 
a= SPCBOX
I want the ions randomly packed in the water box, how can i achieve this purpose?
 
If i use command 'addIons2 a K+ 2 Cl- 2'
 
The ions K+, Cl- will surround the water box. But i need to put the ions in water.
 
Can anyone help with this?
 
 


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Received on Sun Apr 17 2011 - 19:00:03 PDT
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