[gmx-users] converging value

Mark Abraham Mark.Abraham at anu.edu.au
Sun Apr 10 12:39:25 CEST 2011


On 10/04/2011 6:48 PM, mohsen ramezanpour wrote:
> Dear All
>
> How can I determine the converged value of a simulation?
> Because the pressure has big oscilations around it's converging value 
> but it is difficult to determine that value.

Longer simulations on bigger systems.

Mark



More information about the gromacs.org_gmx-users mailing list