Re: [AMBER] How to find the angle bond etc parameters used for practicular atom type used in AMBER?

From: Catein Catherine <askamber23.hotmail.com>
Date: Fri, 9 Jul 2010 23:11:58 +0800

 Thank you James

 

Cat

 

 
> Date: Fri, 9 Jul 2010 10:21:55 -0400
> From: jimbo.maier.gmail.com
> To: amber.ambermd.org
> Subject: Re: [AMBER] How to find the angle bond etc parameters used for practicular atom type used in AMBER?
>
> Cat,
>
> All the parameter files can be found in
> $AMBERHOME/dat/leap/parm/
>
> and will be called
> parm*.dat
>
> So the ff99 parameters, for instance, will be located at
> $AMBERHOME/dat/leap/parm/parm99.dat
>
> James
>
>
> On Fri, Jul 9, 2010 at 7:23 AM, Catein Catherine <askamber23.hotmail.com>wrote:
>
> >
> > Dear All,
> >
> >
> >
> > What is the best way to read the atom type and force field parameters
> > (radius, angle or distance or dihedral angle) used for a practicular atom
> > type?
> >
> >
> >
> > I was trying to define a new atom for my MD. I think it share some of the
> > properties of the standard atoms. I want to reference to those used in
> > amber. Where can I found those parameters used in amber?
> >
> >
> >
> > Best regards,
> >
> >
> >
> > cat
> >
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Received on Fri Jul 09 2010 - 08:30:05 PDT
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