[gmx-developers] Spurios warning about no parameters for state B.
hessb at mpip-mainz.mpg.de
Tue Feb 28 11:58:35 CET 2006
Ramon Garcia Fernandez wrote:
> In Gromacs 3.3 (CVS branch release-3-3-patches) I see in the output of
> the following warning:
> Some parameters specified explicitly in state A, but not B - copying
> A to B.
> As I am not doing free energy simulations, this warning surprises me.
> Is it normal, or there might be something wrong in my input files?
> Looking at the source code, this warning is issued when for some
> interaction type, its entry in the array interaction_type, has a value
> of nrfpB non-zero. What does this exactly mean?
This means exactly what it says.
The parameters for the A-state topology are copied to the B-state.
But as you are not doing free-energy calculations the B-state is never used
and this message is not of much use.
I have removed it when not doing free-energy stuff.
Thank you for reporting this problem.
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