VMD-L Mailing List

From: Joshua D. Moore (jdmoore_at_unity.ncsu.edu)
Date: Sat Aug 29 2009 - 02:26:29 CDT

Dear Mark,
Attached is a code that writes a dcd file into a tinkerxyz (Fortran 77). I
can't remember if I have checked this carefully (I think there might be some
mistakes in this version that I fixed on the fly or something) nor why I
would want to do such a thing. But for some reason I have it.

If you wanted to turn a tinkerxyz into a dcd, then this is the opposite of
that, but you could reverse it.

Maybe it will help you.

Josh

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Joshua D. Moore
Graduate Student
North Carolina State University
Dept. of Chemical and Biomolecular Engineering
Box 7905 Centennial Campus
Engineering Building I
911 Partners Way
Raleigh, NC 27695-7905
Phone: (919) 513-2051
Fax: (919) 513-2470
Email: jdmoore_at_unity.ncsu.edu
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On Tue, Aug 25, 2009 at 8:21 PM, Mark M Huntress <markmh_at_bgsu.edu> wrote:

> what is the best way to turn a frame from an MD run into a tinkerxyz file?
> Any short answers for this?
> Thanks.
> mark
>