[gmx-users] grompp - commands

[Chih-Ying Lin]

Hi
Here are four commands.

PART I

grompp_mpi -np 16 -v -f md.mdp -c 6LYZ-MD.gro -p 6LYZ.top -o 6LYZ-MD55.tpr

mpiexec -np 16 mdrun_mpi -deffnm 6LYZ-MD55




PART II

grompp_mpi -np 16 -v -f md.mdp -c 6LYZ-MD55.gro -p 6LYZ.top -o
6LYZ-MD155.tpr

mpiexec -np 16 mdrun_mpi -deffnm 6LYZ-MD155


Will the last snapshot of trajectory of the simulation PART I be save as
6LYZ-MD55.gro?

Will the commands in PART II intrigue the simulation starting from the last
snapshot of trajectory of PART I , 6LYZ-MD55.gro ?



Thank you

Lin
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