[gmx-users] Resuming of the trajectory calculation

Felipe Pineda, PhD luis.pinedadecastro at lnu.se
Thu Feb 14 09:22:16 CET 2013

Very frequently it helps just to do some searches by your own and read 
_carefully_ the documentation:


On 02/14/2013 08:13 AM, James Starlight wrote:
> 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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