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
and
-d to define the size of your box !
Why would that be a bug ?
Best
XAvier
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