[gmx-users] Re: velocities not rescaled

X.Periole X.Periole at rug.nl
Fri Jan 20 08:27:10 CET 2006


> I am reposting my earlier question, as I thought you 
>might have missed it.
> I am not quite able to understand the meaning of " The 
>velocities of the
> atoms were not scaled during the simulation". Then how 
>can we use the
> temperature coupling?

the reason that you did not get comment is certainly 
this does not make sense. If there is no rescaling of 
velocities, there is no coupling. that is for sure.

You migh want ot give more info.


More information about the gromacs.org_gmx-users mailing list