Re: ATP fix (fwd)

From: himanshu chandola (beu99419_at_ccsun50.iitd.ernet.in)
Date: Wed Nov 19 2003 - 23:36:48 CST

yes brian -

         that was indeed small stuff removing that error. I just changed
the atom type of one of the atom . Its just that one never peeps into this
param files that this all happened.

**THANKS** everyone for all the help especially Brian and Zhu.

 ----------------------------------------
Morpheus: Do you believe in fate, Neo?
Neo: No.
Morpheus: Why Not?
Neo: Because I don't like the idea that I'm not in control of my life.

On Wed, 19 Nov 2003, Brian Bennion wrote:

> 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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