Re: AMBER: parmcal problem

From: David A. Case <case.scripps.edu>
Date: Fri, 11 Jun 2004 15:37:53 -0700

On Thu, Jun 10, 2004, scopio wrote:
>
> I'm using parmcal to get the angle params for Mg-na-ca.

Parmcal is not going to be able to help you out here: it doesn't know about
metal ions. You will have to generate appropriate parameters by other means
(literature, crystal structures, etc.)

....good luck...dac

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Received on Fri Jun 11 2004 - 23:53:01 PDT
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