[gmx-users] VDWradii.dat

nishap.patel at utoronto.ca nishap.patel at utoronto.ca
Mon Aug 30 20:32:09 CEST 2010


    I have a question about how gromacs assigns VDW radii for ions. I  
checked the vdwradii.dat file but it does not mention any ions, so  
where do the parameters for ions come from? I got the .pqr file for  
sodium and I got the atomic radii of 1.6652A, I am not sure where that  
value came from.

I would really appreciate some help!


-Nisha P

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