Re: [AMBER] How can I get amber know calcium

From: Sajeewa Pemasinghe <>
Date: Mon, 20 Oct 2014 13:41:44 -0400

Hi Jinfeng,

This question has been answered before by Professor Ross Walker.

Follow this procedure.

The same approach is also described for copper ion at

If you want to account for the perturbation of charges around the calcium
ion due to its presence, RESP charges can be derived following the
procedures at


On Mon, Oct 20, 2014 at 12:35 PM, jinfeng liu <>

> Dear Amber users,
> I want to run MD simulation for a protein which contains a calcium. I know
> the parameters of calcium are included in amber. So, what should I do to
> get amber know the calcium in the pdb. Thank you.
> Best,
> Jinfeng
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Received on Mon Oct 20 2014 - 11:00:02 PDT
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