From: himanshu chandola (beu99419_at_ccsun50.iitd.ernet.in)
Date: Fri Jan 30 2004 - 14:10:21 CST
Actually i had wanted the results in decimals - so i thought to do the
calculations on them too. But i guess - it would be okay to do them on
binary numbers and then convert the results into decimal .
thanks all
himanshu
On Thu, 29 Jan 2004, Brian Bennion wrote:
>
> I don't understand what it is your asking that the list hasn't answered
> before.
>
> You only need decimal format if YOU are going to read the coordinates and
> YOU need to do the calculations with your calculator or pencil and paper.
>
> Otherwise all your analysis code needs to read is the binary format and
> perform operations with variables containing the coordinates.
> This assumes that you have programs that will read dcd files do the
> calculations that you are interested in.
>
> Brian
>
>
> On Fri, 30 Jan 2004, himanshu chandola wrote:
>
> > hi all -
> > this one is related to the discussion we had earlier about binary
> > dcd files. As i had talked then - how do u analyze a binary dcd file. Like
> > you read in the time step but if you have to perform some mathematical
> > operations on the coordinates - then you need to convert them back to the
> > decimal format ? Is it so ?
> >
> > himanshu
> >
>
> *****************************************************************
> **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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