Re: [AMBER] force field Hydroxide ion

From: Brian Radak <radak004.umn.edu>
Date: Mon, 6 Feb 2012 14:09:58 -0500

Hi Iccy,

I don't know of any hydroxide force fields in common use. There is
probably not one accepted as standard by the AMBER community. I have seen
some papers (mostly from Greg Voth's lab) that use EVB models for proton
hopping (which could be done in AMBER, I think?), but those usually focus
on water and hydronium, not hydroxide.

Sorry if that's not very encouraging,
Brian

On Mon, Feb 6, 2012 at 1:59 PM, iccy liu <hbliu92.hotmail.com> wrote:

>
> Dear Amber users,
>
> I need to do a quick sampling of my solvent system with sodiam hydroixd. I
> could not find any hydroixe ion force field from AMBER library. Can anyone
> give me any suggestions about how to do it? Thanks a lot!
>
> Iccy Liu
>
> _______________________________________________
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>



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Received on Mon Feb 06 2012 - 11:30:02 PST
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