On 5/3/12 10:52 AM, francesco oteri wrote:
Dear gromacs users,
I am using g_energy to extract energies and I noticed that, amon the different
groups,
there groups like Lamb-Protein,Lamb-Water_and_ions and other names I dont know.
I am wondering whether exist a guide explaining the differet
Hi Justin,
I have
free-energy = no
in my .mdp file, but I still see this value in g_energy.
It should be absent or always 1 while the values by g_energy are close to 1
but still fluctuating along the trajectory.
So, can you explain me how the value is used by gromacs?
Francesco
On 5/3/12 11:04 AM, francesco oteri wrote:
Hi Justin,
I have
free-energy = no
in my .mdp file, but I still see this value in g_energy.
It should be absent or always 1 while the values by g_energy are close to 1 but
still fluctuating along the trajectory.
So, can you explain me how
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