[gmx-users] gromacs-3.3.1 tpr file in gromacs 4.0.5?

[Mark Abraham]

jagannath mondal wrote:
> Hi,
>   I was wondering whether one can use a .tpr file  made using 
> gromacs-3.3.1 in gromacs 4.0.5 to restart or exactly continue a 
> simulation or not.

It should run, but it will not produce a simulation identical with that 
produced by 3.3.1. The algorithm is different, and MD is chaotic.

Mark