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
loris...
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