Re: CCL:where to find the force field parameters for F and P atom?

From: Joey Harriman (
Date: Fri Dec 12 2003 - 09:22:15 CST


If you are doing an MD in amber7 you can make a force field modification file including
the missing parameters. You could try to get these parameters from a variety of
different sources. The best of course would be to run the ab initio calculations to
get these values. As a less expensive solution you could try to get the parameters
from gaff (in Amber 7) or from a molecular mechanics program such a macromodel that is
well parametrized. Hope this helps.



> Dear sir,
> I want to do a MD calculation with the system including F and P atom. However I
> can't find these relevant parameters in AMBER or CHARMM force field parameters. If
> you can give me some suggestions or clues on where I can find them, I will be very
> appreciated your help!
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Joey Harriman
MSc Computational Chemistry
University of New Brunswick
Room 228
Toole Hall

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