[gmx-users] Potential energy calculation of protein by using g_energy
feenstra at chem.vu.nl
Tue Jan 6 09:20:07 CET 2004
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.
| | |
| _ _ ___,| K. Anton Feenstra |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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