[gmx-users] Extending MD run

Itamar Kass ikass at uq.edu.au
Mon Nov 19 01:18:16 CET 2007

Hi all,

In gromacs if you want to extend your run you can do something like

 > grompp_d -f md.mdp -c MD1.gro -p mol.top -t rom_MD1.trr -e 
from_MD1.edr -o for_MD2.tpr

Now my question is, what happen if the trr file ends at 400ps and the 
edr file ends at 399ps? Will it use the trr alone and forget about the 
edr file?

And another one, what it gets from the edr file? After all, the 
information it needs is position and velocities from the trr file.


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