AMBER Archive (2007)

Subject: Re: AMBER: how to combine two molecules

From: Wenyong Tong (wenyong_tong_at_yahoo.com)
Date: Mon Aug 13 2007 - 18:14:49 CDT

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_at_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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