[gmx-users] Simulation Box type

tarak karmakar tarak20489 at gmail.com
Tue Jul 17 08:16:57 CEST 2012


Dear All,


I want to opt for the rhombic dodecahedron box in my simulation of a
protein. I am using the following command to select the type of the
box
"editconf -f test.gro -o test_box.gro -c -d 1.2 -bt dodecahedron"
but after this if I'm seeing this protein system within the box in VMD
but its not showing that dodecahedron box, instead showing rectangular
one. I don't know whether I am giving the wrong command or it's coming
out from VMD software.
   So can anyone give suggestion regarding this problem so that I can
make myself confirmed by seeing the exact box, I need to have, prior
to the simulation.

Thanks in advance,
  Tarak



-- 
Tarak Karmakar
Molecular Simulation Lab.
C.P.M.U
JNCASR



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