Re: [AMBER] How to make ionic liquid solvent box?

From: Bill Ross <ross.cgl.ucsf.EDU>
Date: Tue, 4 May 2010 15:47:41 -0700

> Some double bonds are changed to single bonds

prmtop files have no knowledge of bond order, so this is not
surprising. I would move on to a test run per my last msg.

Bill

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Received on Tue May 04 2010 - 16:00:05 PDT
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