[gmx-developers] md->nalloc initialization

qkli at iccas.ac.cn qkli at iccas.ac.cn
Fri Feb 13 04:34:56 CET 2009

Dear Gmx-developers,

When I read the codes, I found the md->nalloc (void atoms2md(...) in mdatoms.c)
is not properly initialized(t_mdatoms *init_mdatoms(...)) before being used in comparison
if (md->nr > md->nalloc)
even though the default behavior of some compilers may set it to zero,
but it's not always true.

I hope I'm wrong!

Qikai Li

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