Dear all,
Does any one know how to generate PQR file for Ca2+ ion ? I have seen some PDB2PQR forums suggesting CHARMM radius for Ca2+, which is 1.367 angstroms, other people suggest AMBER radius 1.7131 angstroms, and I thought that it should be the Born Radius,
which is 1.862.
Which one would you use ?
Thanks.
Raul
Raul Mendez Giraldez, PhD
Dokholyan Lab
Dept. Biophysics & Biochemistry
Genetic Medicine
University of North Carolina
120 Mason Farm Road
Chapel Hill, NC 27599
US