[gmx-developers] Removal of -noaddpart option from mdrun
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:
>>> 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
> ...rather, if some files are missing mdrun generates an error. If all files are
> missing, mdrun simply creates new ones with the desired names.
Dr Thomas Piggot
University of Southampton, UK.
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