[gmx-users] Question about different versions of gromacs

Mark Abraham Mark.Abraham at anu.edu.au
Fri Mar 28 11:07:59 CET 2008

Nicolas Martinez wrote:
> Hello gromacs users
> I am using gromacs to perform MD simulations of a protein in a box of 
> water.
> My run input files (tpr file)are being prepared on my local machine 
> which has gromacs version  3.3.1 but my calculations are made on a 
> different machine who has gromacs 3.3.2.
> Should I be doing this?

The .tpr file format is backwards compatible, in that 3.3.2 can 
correctly interpret a 3.3.1 file, but any new features of 3.3.2 will not 
be available, and any algorithm changes will reflect the 3.3.2 
implementation. You will avoid problems by keeping things consistent, of 


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