AMBER Archive (2009)

Subject: Re: [AMBER] Force Field Fitting

From: s. Bill (s_bill36_at_yahoo.co.uk)
Date: Thu Sep 17 2009 - 14:27:46 CDT

Dear Manoj
Thanks for your reply, but what is about the force constant?
how can I calculate bond length force constant, angle force constant and torsion force constant?
Thanks in advance
S. Bill

--- On Thu, 17/9/09, manoj singh <mks.amber_at_gmail.com> wrote:

From: manoj singh <mks.amber_at_gmail.com>
Subject: Re: [AMBER] Force Field Fitting
To: "AMBER Mailing List" <amber_at_ambermd.org>
Date: Thursday, 17 September, 2009, 5:20 PM

AmberTools, R.E.D. (with Gamess) for charge fitting.You can use Gamess for
angle, dihedral and LJ fitting.

On Thu, Sep 17, 2009 at 7:36 AM, s. Bill <s_bill36_at_yahoo.co.uk> wrote:

> Dear AMBER
> I was wondering if there is a FREE software for force field fitting?
> Thanks in advance
> S. Bill
>
>
>
>
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