From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Wed Jan 27 2010 - 19:52:40 CST
On Wed, Jan 27, 2010 at 8:18 PM, Thomas Kahn <tkahn_at_usc.edu> wrote:
> I need to take a .pdb of RNA and solvate it and then add a single Mg2+ ion at specific coordinates and generate a .psf. This can be done in any order that will accomplish all three tasks: 1) solvate, 2) add one Mg2+, 3) write psf. I need to be able to specify the coordinates of the Mg2+ ion rather than having it automatically placed at a potential minima.
> Does anybody have any suggestions for me?
the psf file does not contain any coordinate information, so you would
need only one .psf file,
unless you want to remove water molecules depending on your placement
of the mg2+ ion.
> Any help would be greatly appreciated,
> Thomas Kahn
-- Dr. Axel Kohlmeyer akohlmey_at_gmail.com Institute for Computational Molecular Science College of Science and Technology Temple University, Philadelphia PA, USA.
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