[gmx-users] continue simulation from intermediate frame instead of last frame

tarak karmakar tarak20489 at gmail.com
Wed Oct 4 12:26:36 CEST 2017

Hi All,
Is there any way to continue a simulation from an intermediate time scale,
(say, from a frame at time=180 ns instead of 190.772 ns)?

gmx_mpi_d convert-tpr -s topol.tpr -f state_prev.cpt -e ener.edr -time
180000 -o topol.tpr
gmx_mpi_d mdrun -s topol.tpr -noappend

This does not help as it restarts from the last frame as saved in state.cpt

Started mdrun on rank 0 Tue Oct  3 16:15:35 2017
           Step           Time         Lambda
       95386040   190772.08000        0.00000

I appreciate any help.


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