[AMBER] how to set charge and radius of my own custom ion

From: Anbang Li <lianbang.gmail.com>
Date: Sat, 4 Sep 2010 07:14:27 +0800

Hi, all!

I want to use an artificial ion in my simulation using Amber. After
reading the tutorial "TUTORIAL A1 Old: Building your own Custom
Residues", I have learned to build a ".lib" file, but still have a
problem: how to set the charge and radius of my own custom ion? It
seems that I can modify the "chg" and "pchg" in the ".lib" file to set
charge (is this right?), but I totallly have no idea to set its
radius!

Could anyone help me?

Thanks,
Anbang Li 

-- 
Physics Department, HuaZhong Normal University, China
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Received on Fri Sep 03 2010 - 16:30:03 PDT
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