[gmx-users] g_energy -fee -f2

Xavier Periole periole at inka.mssm.edu
Thu Sep 18 21:12:01 CEST 2003

Sorry, I have not been clear. I think that the -f2 option actually gives the
the energy values in the B state whereas the -f would discribe state A.
So what I meant by run two simulations is that you probably (I've never
done that with gromacs) have to run state A and rerun the trajectory
with the perturbation and thus generate the -f2 file (state B).


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