From: Ajasja Ljubetič (ajasja.ljubetic_at_gmail.com)
Date: Mon Jul 12 2010 - 08:52:05 CDT
There is this as well
http://www.ks.uiuc.edu/Research/vmd/plugins/molfile/dcdplugin.html
<http://www.ks.uiuc.edu/Research/vmd/plugins/molfile/dcdplugin.html>Regards,
Ajasja
On Mon, Jul 12, 2010 at 14:29, Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:
> On Mon, Jul 12, 2010 at 7:43 AM, Jun Zhang <coolrainbow_at_yahoo.cn> wrote:
> > Hello everyone:
> >
> > Is there any documents about the format of NAMD output dcd file? I have
> tried to write a function of READ_DCD by reading the source code of NAMD and
> it had succeeded. However, The dcd file generated by WRITE_DCD function I
> wrote cannot be rocgnized by VMD. Maybe this is because the "padding bits"
> in the dcd file that I cannot understand their meanings through NAMD source
> code. If there is such a document anywhere, please tell me. Thank you in
> advance.
>
> why go through those pains and implement the dcd format directly?
> it would be _so_ much simpler to write an interface to the
> molfile plugin library and as a bonus you'd gain support for _all_
> formats that molfile supports.
> have a look at the catdcd sources for an example of its usage.
>
> cheers,
> axel.
> > Jun Zhang
> > Nankai University
> > coolrainbow_at_yahoo.cn
> >
> >
> >
> >
> >
> >
> >
>
>
>
> --
> Dr. Axel Kohlmeyer akohlmey_at_gmail.com
> http://sites.google.com/site/akohlmey/
>
> Institute for Computational Molecular Science
> Temple University, Philadelphia PA, USA.
>
>
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:54:18 CST