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

Ing. Vojtech Spiwok Vojtech.Spiwok at vscht.cz
Fri Jun 25 16:23:09 CEST 2004


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




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