[gmx-users] Resuming of the trajectory calculation

James Starlight jmsstarlight at gmail.com
Thu Feb 14 08:13:49 CET 2013

Dear Gromacs Users!

I have completed 100ns md trajectory.

I 'd like to go on that simulation adding extra 100 ns to the existing
trajectory (with appending of both trajectories in single file during
that simulation)

If I do it just via

mdrun -v -cpi md  -deffnm md
the simulation have not gone on because the simulation time defined in
mdp file was over.

on contrary if I define new mdp file via grompt the second trajectory
save in the another file

Does it possible to continue simulation in the existing file?


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