[gmx-users] exact number of water
alexanderwien2k at gmail.com
Sat May 5 13:31:37 CEST 2018
I want to create a box containing %80 water (spce), %12 molecule A and %8
molecule B. Using the gmx insert-molecules, I have already the portions of
A and B in a box, and using the gmx solvate I tried to solvate the box, but
the gmx solvate inserts much more than the required %80 water molecules in
that box. I also tried to put water by gmx insert-molecules but it could
not put even a single water in that box.
So, I was wondering how to put exact number (let's say 6000 SOL or at least
around) of water in such box?
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