AMBER: Parameters for chloride ion in contact with a protein

From: Francesco Pietra <>
Date: Mon, 25 Aug 2008 16:25:13 +0200

I need mass and vdw for chloride ion in contact with proteins.That
both for recent ff (in use on Amber10) and the old Winer et al (1984,
1986) ff. The latter to be initially used for docking purposes. I
presume that there will be no solvating water for the chloride ion
even when the complex will be immersed into a water-solvated lipidic
membrane for MD.

Inspection of files offered for Amber10 has left so many doubts that I
dare immediately ask advice before embarking on wrong routes.


francesco pietra
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Received on Wed Aug 27 2008 - 06:07:27 PDT
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