Re: AMBER: how to combine two molecules

From: Wenyong Tong <wenyong_tong.yahoo.com>
Date: Mon, 13 Aug 2007 16:14:49 -0700 (PDT)

Hello, David

Thanks a lot. It seems that I can produce the .top
and .crd files after making some corrections in .dat
file.

Wenyong



--- "David A. Case" <case.scripps.edu> wrote:

> 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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Sincerely yours

Mr. Wenyong Tong
















       
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Received on Wed Aug 15 2007 - 06:07:35 PDT
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