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

Justin A. Lemkul jalemkul at vt.edu
Thu Jul 15 16:22:03 CEST 2010

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 A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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