AMBER Archive (2006)

Subject: Re: AMBER: bad atom type: Li

From: David A. Case (case_at_scripps.edu)
Date: Wed Sep 27 2006 - 01:03:56 CDT

On Thu, Sep 21, 2006, jitrayut jitonnom wrote:

> [vannajan_at_localhost peo8pei32li20clo20]$ bad atom type: Li

You are apparently asking to carry out surface area calculations, but there
are no surface area parameters for lithium. (A surface area model would not
make much sense for ionic compounds like this.)

Would some developer please provide a patch to give a better error message
here?

...thx...dac
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