[gmx-users] g_energy -fee -f2

Ilya Chorny ichorny at maxwell.compbio.ucsf.edu
Thu Sep 18 21:58:01 CEST 2003

How does on rerun the trajectory with the perturbation?



On Thu, 2003-09-18 at 12:10, Xavier Periole wrote:
> 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).
> XAvier
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