Re: GolP-CHARMM

From: horacio poblete (elhoraki_at_gmail.com)
Date: Wed Feb 27 2019 - 14:06:03 CST

Dear Mikhail.

We adapted the GolP/gromacs files from Walsh’s paper, to charmm/namd files.
We have been testing it and works ok, you might want to have a look at our papers:
https://pubs.rsc.org/en/content/articlelanding/2018/nr/c8nr04018d/unauth#!divAbstract <https://pubs.rsc.org/en/content/articlelanding/2018/nr/c8nr04018d/unauth#!divAbstract>
https://pubs.acs.org/doi/abs/10.1021/acs.langmuir.5b03601 <https://pubs.acs.org/doi/abs/10.1021/acs.langmuir.5b03601>
https://pubs.rsc.org/en/content/articlelanding/2017/tb/c7tb02349a/unauth#!divAbstract <https://pubs.rsc.org/en/content/articlelanding/2017/tb/c7tb02349a/unauth#!divAbstract>

You can download the files from:
https://www.dropbox.com/sh/h6e0yxunpkkd77f/AACHlVu3JLUypophZBxPQ1TYa?dl=0 <https://www.dropbox.com/sh/h6e0yxunpkkd77f/AACHlVu3JLUypophZBxPQ1TYa?dl=0>

Best!

-------------------------------------------------------
Horacio Poblete Vilches PhD.
Principal Investigator
Center for Bioinformatics and Molecular Simulations
Escuela de Ingeneria en Bioinformática
Universidad de Talca
Phone: +56712203041
hopoblete_at_utalca.cl
-------------------------------------------------------

> On Feb 27, 2019, at 1:24 PM, Mikhail Suyetin <msuyetin_at_gmail.com> wrote:
>
> Dear All,
>
> Does anybody use golden surface from:
> L. B. Wright et al., J. Chem. Theory Comput. 2013, 9, 1616–1630
> http://pubs.acs.org/doi/pdf/10.1021/ct301018m <http://pubs.acs.org/doi/pdf/10.1021/ct301018m>
>
> Could you please share the structure file of the surface Au(111).
> Thank you.
>
> Kind Regards,
> Mikhail

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