[gmx-users] Issue in membrane simulation How To

Gianluca Santoni gianluca.santoni at ibs.fr
Fri Nov 18 16:02:51 CET 2011


Hi all,
I was checking the how to on membrane proteins, and i think there is a 
little error in the section
"Increasing the size of the water segment in the z-direction"

The line
# |cat not_last_line.gro new_waters.gro last_line.gro > new_system.gro|
following the notation of the tutorial, recreates the original .gro 
file, with all the water molecule.
I think it should be replaced by

# |cat not_last_line.gro keep_these_waters.gro last_line.gro > new_system.gro|

I'm also not sure about the line just before, but I'm looking for a way 
to fix it. In any case, it doesn't seem to do its job properly.

Ciao!

-- 
Gianluca Santoni,
Institut de Biologie Structurale
41 rue Horowitz
Grenoble
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