force field for H2PO4- and HPO4(-2) ions

From: Pawel Weronski (pawel_at_lanl.gov)
Date: Sat Feb 24 2007 - 10:01:43 CST

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Dear NAMD experts,

I would like to use the phosphate ions H2PO4(-1) and HPO4(-2) in my
simulations. Is it possible to find the CHARMM force field parameters
for them? I found the parameters on the web site
http://www.colby.edu/chemistry/webmo/mointro.html but I am not sure if
they are fine for computations with NAMD.

Best,

Pawel

Next message: Mark Abraham: "Re: force field for H2PO4- and HPO4(-2) ions"
Previous message: Narender Singh Maan: "aligning ligands"
In reply to: Narender Singh Maan: "constant velocity SMD"
Next in thread: Mark Abraham: "Re: force field for H2PO4- and HPO4(-2) ions"
Reply: Mark Abraham: "Re: force field for H2PO4- and HPO4(-2) ions"
Reply: George Madalin Giambasu: "Re: force field for H2PO4- and HPO4(-2) ions"
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