Re: [AMBER] adding counterions

From: Bill Ross <ross.cgl.ucsf.EDU>
Date: Thu, 1 Jul 2010 10:40:27 -0700

> Does anyone know the command for adding counterions (Cl-) to a single
> protein that has been protonated by 19 H+?

If there is an H+ molecule defined (not sure if this is the case),
this cmd would add Cl- to neutralize:

> addions my_mol Cl- 0

If you are solvating with water, better to do that 1st.
If there is no H+ molecule template, you will have to make one;
see tutorials.


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Received on Thu Jul 01 2010 - 11:00:04 PDT
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