Re: AMBER: how to combine two molecules

From: David A. Case <>
Date: Mon, 13 Aug 2007 09:43:57 -0700

On Sat, Aug 11, 2007, Wenyong Tong wrote:
> Could not find bond parameter for OS-c3
> Could not find angle parapeter: OS-c3-h1
> OS-c3-h1
> OS-c3-c3
> CG-OS-c3

It looks like you are mixing gaff and Amber atom types. You will need to
generate these parameters by hand, probably by analogy with similar parameters
in either gaff itself or Amber itself.

...good luck...dac

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Received on Wed Aug 15 2007 - 06:07:29 PDT
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