AMBER Archive (2005)

Subject: AMBER: platinum atom in Xleap

From: Chen Chengwen (cwchen_at_cuhk.edu.hk)
Date: Fri May 13 2005 - 21:11:12 CDT

 Hi,

 I am trying to model DNA-platium compound interactions.
 
 The pdb file I try to use conatin platinum atom and DNA duplex ( cis-[Pt
 (NH3)2]2+ bind to N7 of guanine). The force field I use is ff94 extended> with parm98.dat.
 
 Because Xleap fail to give platinum atome type and charge, I create a
 CPT.lib which include three atoms (one Pt atom and two N atoms) and give
 them atom type and charge by hand.
 
 But when I load the CPT.lib, the xleap still can't recognize the cis-[Pt
 (NH3)2]2+ residue, missing bonds, atom types and charges of platinum
 atom.

Would you help me?

Thank you very much!

Sincerely,
Wendy

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