[gmx-users] VDW radii of Br and K+

Mark Abraham mark.abraham at anu.edu.au
Wed Aug 25 01:44:25 CEST 2010

----- Original Message -----
From: nishap.patel at utoronto.ca
Date: Wednesday, August 25, 2010 6:54
Subject: [gmx-users] VDW radii of Br and K+
To: gmx-users at gromacs.org

> 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.


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