[gmx-users] rerun warning

[Poojari, Chetan]

Hi,

I am doing  rerun to calculate  LJ-SR & coul-SR interactions and  other energy terms for energygrps defined in mdp file.

I have constrained all bonds with lincs algorithm in mdp file.

While running rerun i get following warnings........

WARNING: Some frames do not contain velocities.
         Ekin, temperature and pressure are incorrect,
         the virial will be incorrect when constraints are present.


Please can I Know if the energy values generated are they incorrect........if so how can i recalculate correct energies as i dont have velocities in my file to use  g_traj


Any suggestions will help me.



cheers,
chetan

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