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Water_init

 

Water_init [mol] [number] [resname]

Create an empty solvent molecule containing water residues. The command prompts for the residue name of the first water residue. You can enter i.e. X1, and the remaining water molecules will be named X2, X3 ...Xn, where n is the number of water molecules specified. The command Water_add can be used to fill the empty positions with real ones. Once you initiate a new solvent molecule, you cannot continue adding water positions to already existing solvent molecules, because the internal residue counter is reset. Note: If you specify the name of an already existing molecule, it will be overwritten.