On 2010-11-22 13.36, ???????????? wrote:
Dear gmxers,
I do not know whether this question is suitable here. If not, please
just neglect it. However, this question puzzles me greatly, that is, how
to obtain the coordinates of atom 100 with number in the frame 100 using
xdrfile in C code. Here 100 is only an example for some defined atom or
frame. In my opinions, the xdrfile lib is quite valuable tool to use for
the custom analysis using C code. Unfortunately, there are no documents
about how to use it effectively. Could you please give me some hints to
do so? Thanks a lot for any reply.
Yours sincerely,
Chaofu Wu, Dr.
You just have to read a whole frame and extract the coordinate that you
want.
--
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205.
[email protected] http://folding.bmc.uu.se
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