[gmx-users] Everything you wanted to know...

[Ing. Vojtech Spiwok]

Everything you wanted to know about gromacs but were affraid to ask:

In energy minimization output file the energy for some steps is missing
e.g.:

           Step           Time         Lambda      Annealing
             33       33.00000        0.00000        0.00000

           Step           Time         Lambda      Annealing
             34       34.00000        0.00000        0.00000

What does it mean ?

Thank you
Vojtech Spiwok
ICT Prague