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

[Justin A. Lemkul]

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

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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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