Re: AMBER: Ca(2+) parameter

From: David A. Case <case.scripps.edu>
Date: Thu, 23 Aug 2007 08:04:01 -0700

On Thu, Aug 23, 2007, Qiang Zhong wrote:

> failed to find default bond length KA-KA, types KA-KA

Just a guess: make sure you have TER cards after every Ca atom in your pdb
file; otherwise, LEaP will think you have calcium-calcium bonds.

....dac

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Received on Sun Aug 26 2007 - 06:07:26 PDT
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