Hi,
On Tue, Sep 22, 2015 at 8:22 AM Trayder Thomas
wrote:
> What exactly does 'continuation = yes' do?
>
Tells mdrun to behave as though the simulation didn't stop :-) We need a
way to let people stop the simulation, perhaps change something, and
continue on with the minimum disruption necessar
What exactly does 'continuation = yes' do?
My understanding thus far is that it will move particles in the first step
(using the input velocities) before applying the constraints (LINCS bond
lengths etc.). When continuing a simulation with 'continuation=no' you
would apply constraints twice in a r
