[gmx-users] Re: editconf -d

X.Periole X.Periole at rug.nl
Thu Jul 20 10:09:15 CEST 2006

HI Isabelle,

> I try again, just to know if it is not true that -d 
>implies centering...
>> Hi,
>> when using editconf -d with gromacs version 3.3, it 
>>seems that the protein is 
>> not at the center but at the corner of the box.
>> In gromacs version 3.3, does option -d in editconf 
>>really imply that the 
>> protein will be centered or is there still a bug (as in 
>>version 3.2.1) or am 
>> I missing something?

I don't think the -d option, which defines the minimum
distance to the edge of the box, centers the protein into
the box. You would have to use -c to center the protein 
-d to define the size of your box !
Why would that be a bug ?


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