LI Daobing wrote:
hello,
I prepared an standalone xtcio library[1] from gromacs 3.3.1. I
prepared this because I have had some bad experience in directly using
the xtc part from gromacs[2]. now it provide a single and a double
precision library, and it can work. There are many things need to do,
for example, a full testcase, C++ issue, port to win32, standardnize
the log system, I also want to write a python binding for it. anyway,
now I need a long time sleep, maybe I will improve it on next weekend.
if you have intrest on it, please tell me, thanks.
[1] http://code.google.com/p/xtcio
[2] http://www.gromacs.org/pipermail/gmx-developers/2006-June/001693.html
btw: svk is great, he make me stablely work on an unstable network.
sorry for my poor english.
Thans for your contribution. We are considering how to make GROMACS more
modular, and things like the I/O routines could be made available as
separate libraries. We really appreciate people (like yourself) that
help in thinking (and coding). Ideally your library should be such that
GROMACS itself can link to it. Maybe we can discuss it further on the
developer list.
--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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