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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Received on Sat May 14 2005 - 03:53:01 PDT
