[gmx-users] Protein out of water box

Steffen Wolf swolf at bph.rub.de
Wed Mar 15 13:21:37 CET 2006

Prasad Gajula wrote:
> Dear Gromacs Users,
> When I use the genbox after editconf , most of the protein is out of water.
> Even with 'trjconv' after the simulations I cant see any change, as
> suggested by other gromacs users.
> Pls some one give me an idea...
> thank you very much!
> best regards
> Gajula
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Hi Gajula,
maybe a stupid question, but: is your simulation box larger than the 
protein itself, as it has to be?

Dipl.-Chem. Steffen Wolf
Department of Biophysics
University of Bochum
ND 04/67
44780 Bochum

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