AMBER Archive (2009)

Subject: Re: [AMBER] about saltcon

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Sun Apr 19 2009 - 05:49:57 CDT


it doesn't ahve anything to do with neutralizing- yuo can't do that in
GB. it's for charge screening by an ionic strength.

2009/4/18 zgong.hust <zgong.hust_at_gmail.com>:
> Dear sir:
>        I have search the AMBER MAILING LIST and found that some reply about the value of SALTCON,
> "The added salt concentration has nothing per se to do with the charge on your
> molecule"
> If the added salt concentration couldn't neutralize the charge of molecule, what's the affect or function of SALTCON?
>  I would like to perform the simulation of RNA with GB model. The charge of the molecule is -11. How can I neutralize the charge
> of RNA in GB model?
>
> Thank you
>
> 2009-04-19
>
>
>
> zgong.hust
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