[gmx-users] MD simulation on 1 and 4 nodes

[Alexander Zuev]

David van der Spoel wrote:

> For a single molecule: very long, also dependent on temperature etc.
>
> For many molecules: not long at all. Statistics converge with
> sqrt(Nmol).

Is it enough about 100 ps or it schould be about 1000 ps,
for example, for protein with ~500 residues and ~4000 atoms, 300 K ?

Thanks in advance,

Alexander Zuev