From: Brian Bennion (brian_at_youkai.llnl.gov)
Date: Wed Nov 19 2003 - 11:06:19 CST
I can't believe you couldn't figure this out yourself, think people!!!
On Wed, 19 Nov 2003, himanshu chandola wrote:
> hi all,
> What Zhu has said - that's the solution more or less. Below is the
> part of the solution i got from Dr. Mackerell.
>
> I have made the changes but still one small error remains -
> "
> CAN'T FIND BOND PARAMETERS FOR BOND CN7B - CN7B IN PARAMETER FILES
> "
>
> am looking out for it wat went wrong.
>
> himanshu
>
>
> It is a simple fix, as follows.
>
> in ATP or ADP (or G etc.) change the following atom types
>
>
> ATOM C2' CN7 0.14 !
> to
> ATOM C2' CN7B 0.14 !
>
> and
>
> ATOM C5' CN8 -0.08
> to
> ATOM C5' CN8B -0.08
>
> and everything should be fine.
>
>
>
-- ***************************************************************** **Brian Bennion, Ph.D. ** **Computational and Systems Biology Division ** **Biology and Biotechnology Research Program ** **Lawrence Livermore National Laboratory ** **P.O. Box 808, L-448 bennion1_at_llnl.gov ** **7000 East Avenue phone: (925) 422-5722 ** **Livermore, CA 94550 fax: (925) 424-6605 ** *****************************************************************
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