----- Original Message ----- From: [email protected] Date: Wednesday, August 25, 2010 6:54 Subject: [gmx-users] VDW radii of Br and K+ To: [email protected]
> Hello, > > I converted a .tpr file for Bromine ion and > Potassium ion using -mead option and editconf. It gives out the > Van der Waals radius of the atom, but I don't understand why i > got ~2.46A for Potassium and ~2.31A for Bromide. Isn't the > bromide ion bigger than Potassium? And I used genion to add both > the atoms. When something goes wrong, there has to be a chance that you've done the wrong thing. Supplying information like exact command lines and names of force fields has to help you get better help. Mark
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