MM-Radii for QMMM

Joshua Carr jkenne... at
Wed Mar 25 14:29:11 UTC 2015

I am having the same problem! I need to define radii for some new atom 
types, and I have no idea how to do so. Someone help, please!

Josh Carr

On Thursday, March 12, 2015 at 8:34:33 AM UTC-5, Kristof wrote:
> Hi all, 
> I am trying to set up a QMMM simulation, for which I will need the 
> covalent radii for the electrostatic coupling.
> I found some old mails in this list that mentioned a "" 
> script that is supposed to yield those. It is supposed to be in the files 
> section of this group.
> However, I cannot find it (I can't find the files section for that 
> matter), can someone please help me out?
> Best,
> Kristof
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