AMBER Archive (2004)

Subject: Re: AMBER: Parm98 Vs 02

From: A.Madhumalar (
Date: Wed Jan 21 2004 - 11:01:31 CST

Dear sir
 Thank you for response.To be precise, in the second chapter for f99
force field it is given as "changes have been made in many torsional
parameters" i wanted to know which are those torsional parameters.

Further when i looked into the charges, there are notable differences in
the charge set.for ex in GUA
N2 -0.923(98) -0.7508(02)
CA 0.7432(98) 0.6834(02)

How this changes will affect the simulation and is there any test
run done to check these effects? Thank you very much in advance for any

On Tue, 20 Jan 2004, David A. Case wrote:

> On Tue, Jan 20, 2004, A.Madhumalar wrote:
> > could anyone tell me about the differences bet parm98 & 02?
> These are described in the second chapter of the Users' Manual, "specifying
> a force field". If there is something there that is unclear, you might ask
> a more specific question.
> ..dac

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