[gmx-users] Resuming of the trajectory calculation

[Felipe Pineda, PhD]

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

http://www.gromacs.org/Documentation/How-tos/Extending_Simulations?highlight=extend

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