AMBER Archive (2004)

Subject: AMBER: metal atoms in Xleap

From: Atilio Anzellotti (aanzellotti_at_mail2.vcu.edu)
Date: Thu Aug 19 2004 - 10:05:23 CDT

Dear sir(s),

  I am trying to model some DNA-transition metal interactions, but
xleap is not recognizing the metal atom. So far I have chosen
leaprc.gaff as a source and I used the command: mods = loadamberparams
frcmod.xxx, to load a valid force field for the metal ion. But when I
select the complex, xleap cannot assign the atom type nor the charge
to the metal.

  I will appreciate your help on this regard, and also all the
information regarding working with metal ions in Amber that you can
provide me.

Thanks and Best Regards.

Atilio Anzellotti.
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