[gmx-users] Potential energy calculation of protein by using g_energy

[Anton Feenstra]

Sunita Patel wrote:

> Dear gmx-users,
> 
> I have calculated poteltial energy of protein by using g_energy. In that
> calculation I have selected the following entries. Finally all the
> energies values are added and ploted vs time.
> 
> Could you tell me wheather this representation for potantial energy
> calculation of protein alone (excluding SOL) is correct ?

What do you mean by 'correct'?

You list only the non-bonded energy terms, there are also the 'bondeds',
like bond, angle, dihedral, impropers.


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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|             | Feenstra at chem.vu.nl - www.chem.vu.nl/~feenstra/       |
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