[gmx-users] Re grompp and mdrun output files

Melsa Rose Ducut ducut_melsarose at yahoo.com
Fri Jul 25 06:50:53 CEST 2014

Hi GROMACS users,

I typed the command
grompp -f md300.mdp -c equi_new.gro -n dex.ndx -p topol.top -maxwarn 1 -o md300.tpr

then this command

mdrun -v -deffnm md300

So, I was expecting that the md300.gro output file will be same to the last frame when I load the md300.xtc on the equi_new.gro file on vmd. However, that is not the case. Can anyone please enlighten me about this? Thanks.


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