>>Thanks for your reply. In the previous message, I was misleading, though.
>>What I meant was the following: is it possible to produce an .edr
>>file with "arbitrary" box velocities? For example: I run an NpT simulation
>>(with Parrinello-Rahman barostat), I get an .edr file, and I want to
>>restart from this .edr file, but changing the box velocities with some
>>new values. Of course, this would be not useful for an "exact" restart 
>>from a previous run.
>>I'd need something like that for some time-reversibility tests (and not
>>for production runs); so, even a way to "hardcode" the new box velocities
>>into the .edr file or whatever "trick" wouldn't be a big problem.
>>  
>>
>You would need to edit the edr or tpr file or the grompp code by hand.
>
>But the Gromacs Parrinello-Rahman implementation is not (yet) 
>time-reversible.
>
>Berk.

Do you mean using a binary editor to edit the .edr or .tpr file?
Is there any specific editor to do that? Or what can I use?
Ciao,

Francesco

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