[gmx-users] bug in gromacs-3.2.0beta1 grompp

[Malcolm Gillies]

Hi,

I've found what looks like a bug in grompp from gromacs-3.2.0beta1

grompp segfaults at line 555 of grompp.c when I define a position
restraint.

It looks like the 'forward' array is used without checking first if it
is defined (not the case if shuffling is not used).

cheers,

Malcolm
--
Malcolm Gillies <Malcolm.B.Gillies at anu.edu.au>
Postdoctoral Fellow, Computational Proteomics and Therapy Design Group,
John Curtin School of Medical Research, Australian National University