[gmx-users] Extending MD simulations

[Pandya, Akash]

Hi all,

I tried extending my MD simulation from 60 ns to 100 ns with the following commands:

gmx convert-tpr -s md_0_1.tpr -extend 40000 -o new.tpr

gmx mdrun_mpi  -deffnm new  -cpi md_0_1.cpt   -append


It seems to create new trajectory and log files each time starting from t =0 and not from 60000 ps. How do I fix this issue so that I just have one single log file and trajectory file?

Akash