[gmx-users] editconf do not center protein

reisingere at rostlab.informatik.tu-muenchen.de reisingere at rostlab.informatik.tu-muenchen.de
Fri Jun 29 10:48:49 CEST 2012

Hi everybody,
I want to put my protein in a box with the command:

editconf -f 3m71.gro -o 3m71_box.gro -c -bt dodecahedron -d 1.0 2>>logErr

and add solvent afterwards with:

genbox -cp 3m71_box.gro -cs spc216.gro -p 3m71.top -o 3m71_water.gro
2>>logErr 1>>logOut

But when I look at it I see that the protein is not in the center of the
box. Why? There are no errors or warnings in the log files.


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