[gmx-users] ATP/Mg+2 parameters

[João M. Damas]

Hello George,

What do you mean by "best"? It really depends on the force-field that you
are using/intend to use.

Best,
João


On Fri, Apr 26, 2013 at 4:00 PM, George Patargias <gpat at bioacademy.gr>wrote:

> Hello
>
> Doe anybody know what is the "best" (the most suitable) set of parameters
> to use for ATP/Mg+2 ?
>
> I have seen from the literature that people have used mainly either the
> CHARMM27 parameters or the ones in
>
> Meagher KL, Redman LT, Carlson HA (2003) Development of polyphosphate
> parameters for use with the AMBER force field. J Comput Chem 24:1016
>
> I would appreciate if you can give me any hints on this.
>
> Thanks.
>
>
> Dr. George Patargias
> Postdoctoral Researcher
> Biomedical Research Foundation
> Academy of Athens
> 4, Soranou Ephessiou
> 115 27
> Athens
> Greece
>
> Office: +302106597568
>
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> * Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>



-- 
João M. Damas
PhD Student
Protein Modelling Group
ITQB-UNL, Oeiras, Portugal
Tel:+351-214469613