[gmx-users] problems with editconf

reisingere at rostlab.informatik.tu-muenchen.de reisingere at rostlab.informatik.tu-muenchen.de
Tue Jul 3 11:10:10 CEST 2012

Hi everybody,
I want to put my protein in the box with editconf but when I look at it it
is always at the border of the box and not at the center. I tried it with
those two commands:

editconf -f 3m71.gro -o 3m71_box.gro -center 4.59340   4.59470   5.17330
-c -bt dodecahedron -d 1.0 2>>logErr 1>>logOut

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

With the first command it is at the upper border and with the second
command it is at the right border. The coordinates of the firs command are
from the 3m71.gro file.

Can you please tell me what is wrong?

Thank you,

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