[gmx-users] ff parameters

[rama david]

Dear ali,

the tutorial link you given used the G43a1 ,
The opls-AA and G43a1 paramete4r are different.

To choose the right parameter for system is a very important step in
simulation.

With best wishes and regards,
Rama david


On Sat, Nov 10, 2012 at 12:10 PM, Ali Alizadeh <
ali.alizadehmojarad at gmail.com> wrote:

> Dear Justin
>
> I confused, in your tutorial, parameters of ff for example:  OPLS-AA
>
> rlist=rvdw=rcoulomb=1
>
> but in another tutorial i saw :
>
> rlist=rcoulomb=0.9
>
> rvdw= 1.4 or .8
>
> www-personal.umich.edu/~amadi/fwspidr_tutor.pdf
>
>
> --
> Sincerely
>
> Ali Alizadeh
> --
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