AMBER Archive (2001)

Subject: Resp

From: Yanni Wang (Yanni.Wang_at_Kvac.UU.SE)
Date: Wed Mar 28 2001 - 07:24:04 CST

Dear amber users,

 I tried to use " # B3LYP/LANL2DZ pop=mk iop(6/33=2) " to get
electrostatic points of Cis-platin from G98 in a form that Resp
understands. However, the calculation crashed with the information "
GetVDW: no radius for atom 1 atomic number 78". Does someone know
how to solve this problem? Are there some other ways to get charge
distribution of Pt that can be used for MD?

Thanks for any help in advance!

Yanni