[gmx-developers] Hexagonal prism

Simon Wang sim_wang03 at hotmail.com
Sat Feb 14 00:04:05 CET 2004

Hi, all:

I am trying to build a hexagonal prism box via the definition of a triclinic 
box in GROMACS 3.0.5:
editconf -f conf.gro -o out.gro -bt tric -box 5 5 3 -angles 90 90 120 -c

Then I genbox the box with SPC waters. After " trjconv -pbc whole -ur 
compact" to convert to the viewable format, I checked the size the triclinic 
box. However, the edge of the hexagonal prism is not 5 as I defined at the 
begining. I was wondering if it is a unresolved bug.



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