[gmx-users] using old energies

lorix Loris.Moretti at pharm.unige.ch
Tue Jun 5 19:35:07 CEST 2007

Hi everyone,

I am simulating proteins in water at the equilibrium.
I try to run new simulations with a short protein (deleting atoms from 
the previous .gro file).
I understood that gromacs stores the atom velocities in the .gro file 
but also in the .edr file!
I would like to use the atom velocities coming from the previous 
simulation, but I need
to change number assigned to the atoms in the .top and in the .gro file.
Can I still use the velocities/energies from the previous .edr file?
If not, is there a way to feed the new .tpr file with the old 
velocities/energies if the system is part of the system has changed?

thanks in advance

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