[gmx-users] bug in pdb2gmx 3.3

[David van der Spoel]

Hi all,

a bug was discovered and fixed in pdb2gmx from gromacs 3.3. For more 
info see http://bugzilla.gromacs.org/show_bug.cgi?id=65

This only affects proteins with a HEME group or other special bonds (may 
include disulphides as well). Please check your topology. A fix is 
available from the bugzilla website (see above). Drop the specbond.c 
file in src/kernel and recompile. Topologies generated using gromacs 
3.2.1 are fine.

-- 
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
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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