[gmx-users] Run input file prepared by different gmx version

[Mark Abraham]

On 24/11/2010 7:17 AM, Deniz KARASU wrote:
> Hi,
>
> I prepared  a run input file (tpr file) with gromacs 4.07  and can run 
> this tpr on a 4.5.3 installed system. I wonder that there will be a 
> problem about using input files prepared by different gromacs version?
>
> Thanks
>
> deniz.

Generally, no problem. Things are designed so that new code can run old 
input. That won't necessarily reproduce the same simulation as produced 
by a .tpr made by the new grompp from the same .mdp. It depends what 
algorithms you're using and what's been updated in the meantime. I'd 
suggest making yourself a new .tpr and saving yourself potential headaches.

Mark