[gmx-users] multiple simulations

[Nguyen Hoang Phuong]

Dear All,

what is the meaning of the option -multi in mdrun program?

I thought that with this option, multiple simluations will run in
parallel. However, I get only one simulation is run. I did as the following

grompp -f md1.mdp  -c md1.gro -p x.top -o md1.tpr -np 1
grompp -f md2.mdp  -c md2.gro -p x.top -o md2.tpr -np 1

mdrun -multi -np 2 -s md1.tpr md2.tpr

but only the simulation with md1.tpr is run.

What the problem is?

Phuong