[gmx-users] Simulation Restart

[jay patil]

If you want to use same name, and dump in the same file just add 
-deffnm previous_name -append
To the existing command

Yogesh

> On 28-Jul-2017, at 12:56 AM, Mark Abraham <mark.j.abraham at gmail.com> wrote:
> 
> Hi,
> 
> As the log file reports, it doesn't append because you chose output
> filenames (ie the default ones) that don't match what you originally chose.
> More recent versions of GROMACS refuse to run - you need to name all the
> output files the same way, or choose not to append.
> 
> Mark
> 
>> On Thu, 27 Jul 2017 19:46 mohamed mehana <mehana1358 at gmail.com> wrote:
>> 
>> hello,
>> I am using this order to restart my simulation with gromacs 5.0
>> gmx_mpi mdrun -s npt.tpr -cpi npt.cpt
>> however, the it dumps the results to traj.trr and md.log and not to the
>> previous output files. anybody knows why?
>> regards
>> --
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