Dear all,
Is there a possibility to plot the intramolecular energy terms?
3. of "Diagnosing an Unstable System" of the page
sounds as if this is possible. Gmx energy only shows the non bonded interaction energys of the energy groups but not of the energy terms like
angle or dihedrals....
I found the Dihedral PCA part
http://www.gromacs.org/Documentation/How-tos/Dihedral_PCA
which enables such a calculation of the energy of the dihedrals.
But what about the bonds or angles?
Is there also a posiibility to plot those energy terms?
Any idea?
Tank you very much in advance.
Best,
Liz
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