[gmx-users] gromacs-3.3.1 tpr file in gromacs 4.0.5?
Mark.Abraham at anu.edu.au
Wed Jul 15 17:12:12 CEST 2009
jagannath mondal wrote:
> 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.
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