zoon at science.uva.nl
Wed Jul 14 14:48:35 CEST 2004
Which version of gromacs are you using? 3.1.4 had this bug that
editconf wouldn't center.
It was solved in version 3.2.
>I have a protein complex at the edge of the box, so that one part of
>the complex is wrapped (in the initial conformation after editconf).
>For pretty pictures (movies) I'd like to have the complex as a
>whole. Somehow trjconv -pbc whole -center doesn't seem to do the
>trick. Any ideas?
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