# You can use packmol to create a file containing the atomic coordinates # for a system of coarse-grained lipids mixed with water using this command: packmol < mix_lipids+water.inp # If it takes too long for packmol to run, try lowering the "tolerance" # parameter by editing the "mix_lipids+water.inp" file. # NOTE: # It is not necessary to use an external coordinate-generation # program like PACKMOL to mix different kinds of molecules together. # (You can usually accomplish the same thing using moltemplate "move()" commands # See the "3bodyWater+hydrocarbons" example. You can also create random # arrays using the "new random()" command. See the "membrane+protein" example.) # # However PACKMOL does a good job, and is especially convenient when you have # a large disparity between the sizes of the molecules in the system # (such as a protein surrounded by water, for example).