[gmx-developers] Removal of -noaddpart option from mdrun

Thomas Piggot t.piggot at soton.ac.uk
Thu Jul 15 16:43:22 CEST 2010

But how can I get the new files, when using -noappend, to not have the 
'part' bit in their names but just have the name as defined by -deffnm?

Maybe I am missing something obvious, sorry if this is the case.


Justin A. Lemkul wrote:
> Justin A. Lemkul wrote:
>> Thomas Piggot wrote:
>>> Hi,
>>> I was wondering what had happened to the -noaddpart option of mdrun in 
>>> the development version (downloaded yesterday). Has this option been 
>>> removed for a particular reason?
>> Yes, it was removed about a month ago (6/16/2010).  The option -noappend 
>> takes over.  Now mdrun looks for all necessary files and will append to 
>> them, unless you tell it not to (with -noappend).  If files are missing, 
>> mdrun generates an error.  This should be explained in the mdrun -h 
>> information.
> ...rather, if some files are missing mdrun generates an error.  If all files are 
> missing, mdrun simply creates new ones with the desired names.
> -Justin

Dr Thomas Piggot
University of Southampton, UK.

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