[gmx-users] inconsistency in obtained temperature values by traj and g_energy tools

[Tsjerk Wassenaar]

Please just tell me how values of obtained T by g_traj can be corrected
> when I use trajectory and tpr files of constrain MD simulations (OPLS) as
> an input?
>


T(corrected) = T(g_traj)*natoms/(natoms-nconstraints)

Cheers,

Tsjerk