AMBER Archive (2008)

Subject: AMBER: Help in radii

From: snoze pa (snoze.pa_at_gmail.com)
Date: Wed Jan 16 2008 - 11:08:59 CST

Dear Users,
 I am getting following error message after running a small Gaussian
calculation.
*
No NMR shielding tensors so no spin-rotation constants.
 Leave Link 601
 (Enter g03/l602.exe)
 Merz-Kollman atomic radii used.
 Atom Element Radius
    1 16 1.75
    2 6 1.50
    3 6 1.50
    4 8 1.40
    5 8 1.40
    6 7 1.50
    7 1 1.20
    8 1 1.20
    9 1 1.20
   10 6 1.50
   11 1 1.20
   12 1 1.20
   13 1 1.20
   14 26 0.00
 GetVDW: no radius for atom 14 atomic number 26.
 Error termination via Lnk1e in g03/l602.exe
*
How can I get the GetVDW for atomic no 14 in Gaussian. Do I need to
mention it in the beginning of the input Gaussian file
like Pop=(ReadRadii)! Any help. Thanks in advance
s

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