[gmx-users] Coulomb Energies

[afsaneh maleki]

On 12/17/11, Saba Ferdous <saba.bsbi154 at iiu.edu.pk> wrote:
> Dear Gromacs experts,
>
> I want to ask about coulomb energies. Like if coulomb-SR and coulomb-14
> show high RMSD then what should we interpret from such results??
>
>  Average Coulomb Energy (kJ/mol)
>
> -1.62657e+06
>
> RMSD
>
> 2236.85
>
> Error Estimation
>
> 150
>
> Total drift (kJ/mol)
>
> -894.82
>
>
> Many thanks
> --
> Saba Ferdous
> Research Scholar (M. Phil)
> National Center for Bioinformatics
> Quaid-e-Azam University, Islamabad
> Pakistan
>