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
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
================================ Current Address =======================
Brian Radak : BioMaPS
Institute for Quantitative Biology
PhD candidate - York Research Group : Rutgers, The State
University of New Jersey
University of Minnesota - Twin Cities : Center for Integrative
Proteomics Room 308
Graduate Program in Chemical Physics : 174 Frelinghuysen Road,
Department of Chemistry : Piscataway, NJ
08854-8066
radak004.umn.edu :
radakb.biomaps.rutgers.edu
====================================================================
Sorry for the multiple e-mail addresses, just use the institute appropriate
address.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Feb 06 2012 - 11:30:02 PST