Re: [AMBER] Magnesium FATAL error

From: David A Case <case.biomaps.rutgers.edu>
Date: Thu, 12 Jun 2014 07:10:36 -0400

On Thu, Jun 12, 2014, Soumendranath Bhakat wrote:
>
> FATAL: Atom .R<g 561>.A<MG 1> does not have a type.
> FATAL: Atom .R<g 560>.A<MG 1> does not have a type.

You have to explicitly load the ion parameters you want. See the "Ions"
section in the Manual (it's Section 3.9 in the Amber14 manual).

...good luck...dac


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Received on Thu Jun 12 2014 - 04:30:02 PDT
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