[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?
James
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