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

[tarak karmakar]

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
file.

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

I appreciate any help.

-- 
Regards,
Tarak