[gmx-users] multiple simulations
Nguyen Hoang Phuong
phuong at theochem.uni-frankfurt.de
Tue Nov 25 14:27:00 CET 2003
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?
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