Hello,
I am trying to calculate the Ramachandran plot for a molecules based on
non-standar aminoacids, parametrized with the Gaff force field and simulated
with Gromacs 4.0.7.
When I try using g_rama -f trajectory.xtc -s topology.tpr -o rama.xvy
I get: Found 0 phi-psi combinations.
I suppose the problem is the nomenclature of my atoms, since I don´t have any
CA named atoms.
Is there any way to calculate g_rama for non-standar residues defining the
atoms I need?
Thanks a lot for your help.
Best whishes,
Rebeca Garcia
Santiago de Compostela University
Spain
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