[gmx-users] certain number of solvent molecules with genbox WITHOUT "ci"/"nmol" options

[Vedat Durmaz]

hi guys,

i have a molecular system that i want to simulate many times with 
differing initial conditions, but each with the same number of (solvent) 
atoms! i'm using gromacs 4.5.4 ...

genbox with "-cs" gives me different numbers of solvent molecules.

putting more than 20,000 tip4p molecules with the "-ci" and "-nmol" 
combination of genbox instead runs into memory problems (40 GB is not 
sufficient for one single system!).

does anyone know another way of solving that issue avoiding "manual" 
straightening?

thanks and take care

vedat