[gmx-users] Extending simulation with -pd

[Peter C. Lai]

On 2012-03-02 05:25:01PM +0000, Steven Neumann wrote:
> Dear Gmx Users,
> 
> I run nvt simulation with small timestep with implicit solvent for 500 ps.
> I used particle decomposition for this run (-pd). No I want to extend my
> simulation with different mdp file from the previous nvt using:
> 
> 
> grompp -f new.mdp -c old.tpr -o new.tpr -t old.cpt
> 
> mdrun -s new.tpr (-pd?)
> 
> 
> 
> This is my question - shall use -pd option again or will it be considered
> automatically?

The manual entry for mdrun tells you what commandline switches are
considered enabled by default. I don't think -pd is one of them so you 
will have to specify it every time (it's safer to specify it anyway).

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