[gmx-users] combine two solvent box to one large box.

Mark Abraham mark.j.abraham at gmail.com
Mon Feb 2 15:47:44 CET 2015


Strip the solvent, then you can use editconf to put the origin of both
boxes at (0,0,0), then translate one of them, then use a text editor to put
everything in the same coordinate file (updating atom counts and box
vectors). Then solvate. Doing this on a solvated system is the path to the
Dark Side...


On Mon, Feb 2, 2015 at 3:12 PM, BIRD <vgsplayer1 at 163.com> wrote:

> hello all
> I have made two solvent boxes with DIFFERENT protein in each box, the box
> have the same X-Y-Z length.
> I want to combine two boxes to one large box at one dimension like X or Y‍
> Witch command could do that??
> best regard
> Cao, PhD
> Institute of Physics
> Nankai University
> Tianjin, China
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