[gmx-users] question about energy fluctuation

[David van der Spoel]

Qiao Baofu wrote:
>     Thanks. 
> 
> 
> 
> but the g_energy -nmol can only give the Bond,Angle data divided by the 
> nmol, for the Proper-Dih. LJ, Coulomb, Potential, Total-Energy, g_energy 
> -nmol 981 gives the same result as without -nmol 981, in which 981 is 
> the number of molecules.
> 
> I am using Gromacs 3.3.1.
> 
If this is reproducible then please submit a bugzilla.

-- 
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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