[gmx-users] Question about different versions of gromacs

Berk Hess gmx3 at hotmail.com
Fri Mar 28 12:40:34 CET 2008


Hi,

In minor releases (3.3.?) the tpr file format does not change.
Also simulation results should not change, unless a bug was fixed which affects your simulations.

Berk.

> Date: Fri, 28 Mar 2008 11:25:06 +0100
> From: ckutzne at gwdg.de
> To: gmx-users at gromacs.org
> Subject: Re: [gmx-users] Question about different versions of gromacs
> 
> 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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