[gmx-developers] Checkpoint run will start without checkpoint file

chris.neale at utoronto.ca chris.neale at utoronto.ca
Thu Jan 12 05:38:17 CET 2012

I'd certainly like the requested behaviour, and it seems to me that  
anything is possible with an if-statement.

Thank you,

Quoting Bogdan Costescu <bcostescu at gmail.com>:

> On Tue, Jan 10, 2012 at 21:50, David Chalmers   
> <David.Chalmers at monash.edu> wrote:
>> It seems that more useful behaviour
>> would be for mdrun to die if -cpi is specified but the .cpt file is not
>> present.
> I'm not sure that this is possible. GROMACS uses default values for
> all the file names; whenever a file name is required either the file
> provided on the command line or the default value (in this order) will
> be used, so whether -cpi was specified is not known afterwards.
> Cheers,
> Bogdan
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