[gmx-users] a standalone xtcio library
David van der Spoel
spoel at xray.bmc.uu.se
Mon Jul 31 19:12:52 CEST 2006
LI Daobing wrote:
> I prepared an standalone xtcio library from gromacs 3.3.1. I
> prepared this because I have had some bad experience in directly using
> the xtc part from gromacs. 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.
>  http://code.google.com/p/xtcio
>  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
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
spoel at xray.bmc.uu.se spoel at gromacs.org http://folding.bmc.uu.se
More information about the gromacs.org_gmx-users