[gmx-developers] possible bug in repl_ex.c (gmx454)

Berk Hess hess at cbr.su.se
Tue Mar 22 14:08:29 CET 2011

No, this  is not wanted.
But for correct input this bug has no effect.
Currently no fatal error will be generated when you change more than
one property between replica's.
I'll fix it.


On 03/22/2011 01:58 PM, Carlo Camilloni wrote:
> Dear Gromacs Developers,
> I was looking into the differences between the last two versions of gromacs
> and I think to have found a bug in
> static void repl_quantity(FILE *fplog,const gmx_multisim_t *ms,
>                            struct gmx_repl_ex *re,int ere,real q)
> in fact in this routine there are two nested for  cycles (lines 86 and 105) that use
> the same s variable.
> Is this wanted?
> Best,
> Carlo

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