No Van der Waals radius for Iodine
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#2 No Van der Waals radius for Iodine
When calculating the esp charges of a molecule, the calc fails if it
contains iodine (at no 53) as there is no definition of the van der
waals radius of Iodine in esp.f. I have tried editing this file to include
this value (at line 266), but compilation fails on both Mac OS X and
Red Hat Linux using f2c
modified esp.f file