Copper parameters for CHARMM

From: DimitryASuplatov (genesup_at_gmail.com)
Date: Fri Apr 24 2009 - 11:02:50 CDT

Hello,

Im trying to simulate a copper binding protein. I did not find copper
ion in charmm files.

1/ I`ve found those parametern on one of the CHARMM forums
(http://www.charmm.org/ubbthreads/showflat.php?Cat=0&Number=16041&Main=15961)
They were claimed to be from Deng et al Biophysical Journal 2006. I
did not find them in this paper though.

What do you suggest? Does anyone used any other parameters for copper?
! Emin(kcal/mol) ! Rmin(A)
MCU 0.00 -0.060 1.380

MASS 96 MCU 63.546 Cu ! Copper

2/ Why copper is absent from CHARMM topology? It sound like some kind
of problem with universal one-far-all parametrization of this ion.

Thanks.
SDA

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