afsaneh maleki wrote:
On 12/17/11, Saba Ferdous 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 Estimati
On 12/17/11, Saba Ferdous 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
>
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
Dear Gromacs Users,
I am simulating a system that consists of a tryptophan linked to a thymine
dimer (two thymine bases stacked together) and am interested in how the
configurational properties of neutral tryptophan linked to neutral thymine
compares with tryptophan cation linked to thymine an
4 matches
Mail list logo