From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Mon Jul 12 2010 - 07:29:02 CDT
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
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-- Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://sites.google.com/site/akohlmey/ Institute for Computational Molecular Science Temple University, Philadelphia PA, USA.
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