[gmx-users] Replicate Triclinic Bilayer

Justin A. Lemkul jalemkul at vt.edu
Thu Jul 14 22:24:45 CEST 2011

Max Watson wrote:
> I would like to replicate the tilted DPPC gel phase from Marrink's 
> website laterally, so that I have 4 times the area. But since the 
> coupling is anisotropic, there are 9 box dimensions, and the triclinic 
> geometry confuses me.
> I have seen that you can use editconf and -translate, followed by 
> merging the .gro files when using orthogonal box lengths Lx, Ly Lz. But 
> what are the new dimensions of my replicated triclinic system?

Use genconf -nbox to replicate the system in any way you like.

> Also, if anyone can tell me about a good website or book that describes 
> triclinic geometry using lots of pictures, I'd really appreciate it.

A few minutes on Google turns up tons of images.  There's also a bit in the manual.



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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