[gmx-users] How to put more solutes into the system ?

[Mark Abraham]

Chih-Ying Lin wrote:
> Hi
> I have a system -  solutes with water.
> The system has been under MD simulation for 100 ns.
> Now, I want to put more solutes in it.
> Would you please tell me which command can make it ?

Go back to the start, take a coordinate file with a suitable periodic 
box defined (editconf), and replicate it suitably (genconf), then 
solvate that (genbox), then equilibrate.

You could replicate the solvated box, but it's more trouble than it is 
worth.

Mark