AMBER Archive (2004)

Subject: Re: AMBER: parmcal problem

From: David A. Case (case_at_scripps.edu)
Date: Fri Jun 11 2004 - 17:37:53 CDT

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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