[gmx-users] Question about different versions of gromacs

Carsten Kutzner ckutzne at gwdg.de
Fri Mar 28 11:25:06 CET 2008


Hi Nicolas,

it is no problem to read 'older' tpr files with a newer version of 
gromacs. The other way round, it will probably not work - but gromacs 
will give you an error message then, displaying the version differences.

Carsten


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?
> Thanks in advance
> Nicolas Martinez
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