AMBER Archive (2009)

Subject: Re: [AMBER] setting atomic radii for GB version 7

• Previous message: steinbrt_at_rci.rutgers.edu: "[AMBER] Error when installing amber11 on OpenSuse"
• In reply to: Workalemhu Berhanu: "[AMBER] setting atomic radii for GB version 7"
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On Wed, Jun 24, 2009, Workalemhu Berhanu wrote:
>
> In setting up the prmtop file for GB version 7 which one should I use
> “set default PBradii mbondi2", or "set default PBradii bondi" . I am
> using amber 9 and I referred to the manual and it says you should use
> the bondi radii set.

I would recommend using what that manual suggests. Do you have a reason for
not following its advice?

...dac

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• Previous message: steinbrt_at_rci.rutgers.edu: "[AMBER] Error when installing amber11 on OpenSuse"
• In reply to: Workalemhu Berhanu: "[AMBER] setting atomic radii for GB version 7"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]