Assemble a ternary system

User discussions
1

Hello everyone,

I have two equilibrated boxes:
The first one is just solvent (4 nm cubic box) as the second is a water+phosphate solution (5 nm cubic box)
Is it possible to assemble them in such a way that I have a three stacked layer, namely solution/solvent/solution?
Unfortunately, gmx solvate doesn’t allow for binary mixture solvation

Thank you in advance
Matteo

2

See Building Biphasic Systems for a procedure. You can’t combine boxes of different dimensions, so your solvent box needs to be 5 nm to match your solution box.

3

Hi Justin,

So I can double the size along z of my solution box and then solvate with the solvent if they match in dimensions?

Matteo

4

Yes, that’s right.