[gmx-users] Extending simulation with -pd

[Steven Neumann]

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?



Steven
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